Found 173 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163251
(US9062048, 1)Show SMILES Oc1cccnc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-7.25,-.67,;-8.02,.67,;-9.56,.67,;-10.33,2,;-9.56,3.33,;-8.02,3.33,;-7.25,2,;-5.71,2,;-4.94,3.33,;-3.4,3.33,;-2.63,2,;-3.4,.67,;-4.94,.67,;-1.09,2,;,3.09,;1.09,2,;,.91,;2.63,2,;3.4,.67,;2.63,-.67,;4.94,.67,;5.71,2,;7.25,2,;8.02,3.33,;9.56,3.33,;10.33,2,;9.56,.67,;10.33,-.67,;9.56,-2,;8.02,-2,;7.25,-.67,;8.02,.67,;7.25,-3.33,;6.48,-4.67,;5.71,-3.33,;8.02,-4.67,)| Show InChI InChI=1S/C25H27F3N6O2/c26-25(27,28)16-5-8-20-19(10-16)24(32-14-31-20)30-11-22(36)33-17-12-34(13-17)18-6-3-15(4-7-18)23-21(35)2-1-9-29-23/h1-2,5,8-10,14-15,17-18,35H,3-4,6-7,11-13H2,(H,33,36)(H,30,31,32) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163256
(US9062048, 2)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CC=CCO3)c2c1 |r,wU:21.21,24.28,c:31,(8.84,4.07,;8.84,5.61,;7.3,5.61,;10.38,5.61,;8.84,7.15,;10.17,7.92,;10.17,9.46,;8.84,10.23,;8.84,11.77,;7.5,12.54,;6.17,11.77,;6.17,10.23,;4.84,9.46,;3.5,10.23,;2.17,9.46,;2.17,7.92,;.84,10.23,;-.5,9.46,;-.9,7.97,;-2.38,8.37,;-1.99,9.86,;-3.72,7.6,;-5.05,8.37,;-6.39,7.6,;-6.39,6.06,;-5.05,5.29,;-3.72,6.06,;-7.72,5.29,;-7.72,3.75,;-9.05,2.98,;-10.39,3.75,;-10.39,5.29,;-9.05,6.06,;7.5,9.46,;7.5,7.92,)| Show InChI InChI=1S/C25H30F3N5O2/c26-25(27,28)17-6-9-21-20(11-17)24(31-15-30-21)29-12-23(34)32-18-13-33(14-18)19-7-4-16(5-8-19)22-3-1-2-10-35-22/h1-2,6,9,11,15-16,18-19,22H,3-5,7-8,10,12-14H2,(H,32,34)(H,29,30,31)/t16-,19+,22? | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163438
(US9062048, 65)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(CC3)c3cccnc3)c2c1 |(6.48,-4.67,;7.25,-3.33,;5.71,-3.33,;8.02,-4.67,;8.02,-2,;9.56,-2,;10.33,-.67,;9.56,.67,;10.33,2,;9.56,3.33,;8.02,3.33,;7.25,2,;5.71,2,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;,3.09,;-1.09,2,;,.91,;-2.63,2,;-3.4,3.33,;-4.94,3.33,;-5.71,2,;-4.94,.67,;-3.4,.67,;-7.25,2,;-8.02,3.33,;-9.56,3.33,;-10.33,2,;-9.56,.67,;-8.02,.67,;8.02,.67,;7.25,-.67,)| Show InChI InChI=1S/C25H27F3N6O/c26-25(27,28)18-5-8-22-21(10-18)24(32-15-31-22)30-12-23(35)33-19-13-34(14-19)20-6-3-16(4-7-20)17-2-1-9-29-11-17/h1-2,5,8-11,15-16,19-20H,3-4,6-7,12-14H2,(H,33,35)(H,30,31,32) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163439
(US9062048, 66)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(CC3)c3ccccn3)c2c1 |(6.48,-4.67,;7.25,-3.33,;5.71,-3.33,;8.02,-4.67,;8.02,-2,;9.56,-2,;10.33,-.67,;9.56,.67,;10.33,2,;9.56,3.33,;8.02,3.33,;7.25,2,;5.71,2,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;,3.09,;-1.09,2,;,.91,;-2.63,2,;-3.4,3.33,;-4.94,3.33,;-5.71,2,;-4.94,.67,;-3.4,.67,;-7.25,2,;-8.02,3.33,;-9.56,3.33,;-10.33,2,;-9.56,.67,;-8.02,.67,;8.02,.67,;7.25,-.67,)| Show InChI InChI=1S/C25H27F3N6O/c26-25(27,28)17-6-9-22-20(11-17)24(32-15-31-22)30-12-23(35)33-18-13-34(14-18)19-7-4-16(5-8-19)21-3-1-2-10-29-21/h1-3,6,9-11,15-16,18-19H,4-5,7-8,12-14H2,(H,33,35)(H,30,31,32) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163440
(US9062048, 67)Show SMILES Oc1ccc(nc1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.1,2,;-9.56,2,;-8.79,3.33,;-7.25,3.33,;-6.48,2,;-7.25,.67,;-8.79,.67,;-4.94,2,;-4.17,3.33,;-2.63,3.33,;-1.86,2,;-2.63,.67,;-4.17,.67,;-.32,2,;.77,3.09,;1.86,2,;.77,.91,;3.4,2,;4.17,.67,;3.4,-.67,;5.71,.67,;6.48,2,;8.02,2,;8.79,3.33,;10.33,3.33,;11.1,2,;10.33,.67,;11.1,-.67,;10.33,-2,;8.79,-2,;8.02,-.67,;8.79,.67,;8.02,-3.33,;7.25,-4.67,;6.48,-3.33,;8.79,-4.67,)| Show InChI InChI=1S/C25H27F3N6O2/c26-25(27,28)16-3-7-22-20(9-16)24(32-14-31-22)30-11-23(36)33-17-12-34(13-17)18-4-1-15(2-5-18)21-8-6-19(35)10-29-21/h3,6-10,14-15,17-18,35H,1-2,4-5,11-13H2,(H,33,36)(H,30,31,32) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163441
(US9062048, 68)Show SMILES COc1cnccc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-8.02,4.67,;-7.25,3.33,;-8.02,2,;-9.56,2,;-10.33,.67,;-9.56,-.67,;-8.02,-.67,;-7.25,.67,;-5.71,.67,;-4.94,2,;-3.4,2,;-2.63,.67,;-3.4,-.67,;-4.94,-.67,;-1.09,.67,;,1.76,;1.09,.67,;,-.42,;2.63,.67,;3.4,-.67,;2.63,-2,;4.94,-.67,;5.71,.67,;7.25,.67,;8.02,2,;9.56,2,;10.33,.67,;9.56,-.67,;10.33,-2,;9.56,-3.33,;8.02,-3.33,;7.25,-2,;8.02,-.67,;7.25,-4.67,;6.48,-6,;5.71,-4.67,;8.02,-6,)| Show InChI InChI=1S/C26H29F3N6O2/c1-37-23-11-30-9-8-20(23)16-2-5-19(6-3-16)35-13-18(14-35)34-24(36)12-31-25-21-10-17(26(27,28)29)4-7-22(21)32-15-33-25/h4,7-11,15-16,18-19H,2-3,5-6,12-14H2,1H3,(H,34,36)(H,31,32,33) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163442
(US9062048, 69)Show SMILES Oc1ccccc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-7.25,4,;-8.02,2.67,;-9.56,2.67,;-10.33,1.33,;-9.56,,;-8.02,,;-7.25,1.33,;-5.71,1.33,;-4.94,2.67,;-3.4,2.67,;-2.63,1.33,;-3.4,,;-4.94,,;-1.09,1.33,;,2.42,;1.09,1.33,;,.24,;2.63,1.33,;3.4,,;2.63,-1.33,;4.94,,;5.71,1.33,;7.25,1.33,;8.02,2.67,;9.56,2.67,;10.33,1.33,;9.56,,;10.33,-1.33,;9.56,-2.67,;8.02,-2.67,;7.25,-1.33,;8.02,,;7.25,-4,;6.48,-5.33,;5.71,-4,;8.02,-5.33,)| Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)17-7-10-22-21(11-17)25(32-15-31-22)30-12-24(36)33-18-13-34(14-18)19-8-5-16(6-9-19)20-3-1-2-4-23(20)35/h1-4,7,10-11,15-16,18-19,35H,5-6,8-9,12-14H2,(H,33,36)(H,30,31,32) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163459
(US9062048, 88)Show SMILES CC(C)c1nc(NCC(=O)NC2CN(C2)C2CC[C@](O)(CC2)c2cncs2)c2cc(ccc2n1)C(F)(F)F |r,wD:18.19,(-.54,-2.31,;.79,-3.08,;.79,-4.62,;2.13,-2.31,;2.13,-.77,;3.46,,;3.46,1.54,;2.13,2.31,;2.13,3.85,;3.46,4.62,;.79,4.62,;-.54,3.85,;-2.03,4.25,;-2.43,2.76,;-.94,2.36,;-3.76,1.99,;-3.76,.45,;-5.09,-.32,;-6.43,.45,;-7.2,1.78,;-6.43,1.99,;-5.09,2.76,;-7.76,-.32,;-9.22,.16,;-10.13,-1.09,;-9.22,-2.33,;-7.76,-1.86,;4.8,-.77,;6.13,,;7.46,-.77,;7.46,-2.31,;6.13,-3.08,;4.8,-2.31,;3.46,-3.08,;8.8,,;10.13,.77,;9.57,-1.33,;8.03,1.33,)| Show InChI InChI=1S/C26H31F3N6O2S/c1-15(2)23-33-20-4-3-16(26(27,28)29)9-19(20)24(34-23)31-11-22(36)32-17-12-35(13-17)18-5-7-25(37,8-6-18)21-10-30-14-38-21/h3-4,9-10,14-15,17-18,37H,5-8,11-13H2,1-2H3,(H,32,36)(H,31,33,34)/t18?,25- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163602
(US9062048, (+) 4 | US9062048, (+) 6 | US9062048, (...)Show SMILES OC(C1CC1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(9.34,-18.35,;8,-17.58,;6.67,-18.35,;5.9,-19.68,;5.13,-18.35,;8,-16.04,;9.34,-15.27,;9.34,-13.73,;8,-12.96,;6.67,-13.73,;6.67,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,)| Show InChI InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(9-16)23(30-13-29-20)28-10-21(33)31-17-11-32(12-17)18-6-3-15(4-7-18)22(34)14-1-2-14/h5,8-9,13-15,17-18,22,34H,1-4,6-7,10-12H2,(H,31,33)(H,28,29,30) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163460
(US9062048, 89)Show SMILES Cc1nc(NCC(=O)NC2CN(C2)C2CC[C@](O)(CC2)c2cncs2)c2cc(ccc2n1)C(F)(F)F |r,wD:16.17,(.79,-3.85,;2.13,-3.08,;2.13,-1.54,;3.46,-.77,;3.46,.77,;2.13,1.54,;2.13,3.08,;3.46,3.85,;.79,3.85,;-.54,3.08,;-2.03,3.48,;-2.43,1.99,;-.94,1.59,;-3.76,1.22,;-3.76,-.32,;-5.09,-1.09,;-6.43,-.32,;-7.2,1.01,;-6.43,1.22,;-5.09,1.99,;-7.76,-1.09,;-9.22,-.61,;-10.13,-1.86,;-9.22,-3.1,;-7.76,-2.63,;4.8,-1.54,;6.13,-.77,;7.46,-1.54,;7.46,-3.08,;6.13,-3.85,;4.8,-3.08,;3.46,-3.85,;8.8,-.77,;10.13,,;9.57,-2.1,;8.03,.56,)| Show InChI InChI=1S/C24H27F3N6O2S/c1-14-30-19-3-2-15(24(25,26)27)8-18(19)22(31-14)29-10-21(34)32-16-11-33(12-16)17-4-6-23(35,7-5-17)20-9-28-13-36-20/h2-3,8-9,13,16-17,35H,4-7,10-12H2,1H3,(H,32,34)(H,29,30,31)/t17?,23- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163602
(US9062048, (+) 4 | US9062048, (+) 6 | US9062048, (...)Show SMILES OC(C1CC1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(9.34,-18.35,;8,-17.58,;6.67,-18.35,;5.9,-19.68,;5.13,-18.35,;8,-16.04,;9.34,-15.27,;9.34,-13.73,;8,-12.96,;6.67,-13.73,;6.67,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,)| Show InChI InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(9-16)23(30-13-29-20)28-10-21(33)31-17-11-32(12-17)18-6-3-15(4-7-18)22(34)14-1-2-14/h5,8-9,13-15,17-18,22,34H,1-4,6-7,10-12H2,(H,31,33)(H,28,29,30) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163262
(US9062048, 7)Show SMILES CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-7.05,-4.78,;-8.39,-4.01,;-9.72,-4.78,;-8.39,-2.47,;-9.72,-1.7,;-7.05,-1.7,;-7.05,-.16,;-5.72,.61,;-4.39,-.16,;-4.39,-1.7,;-5.72,-2.47,;-3.05,.61,;-1.56,.21,;-1.17,1.7,;-2.65,2.1,;.17,2.47,;1.5,1.7,;1.5,.16,;2.84,2.47,;4.17,1.7,;5.5,2.47,;5.5,4.01,;6.84,4.78,;8.17,4.01,;8.17,2.47,;9.5,1.7,;9.5,.16,;8.17,-.61,;6.84,.16,;6.84,1.7,;8.17,-2.15,;8.17,-3.69,;6.63,-2.15,;9.71,-2.15,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-6-18(7-4-15)32-11-17(12-32)31-21(33)10-28-23-19-9-16(24(25,26)27)5-8-20(19)29-13-30-23/h5,8-9,13-15,17-18,22,34H,3-4,6-7,10-12H2,1-2H3,(H,31,33)(H,28,29,30)/t15-,18+,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163265
(US9062048, 9)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C=C)c2c1 |r,wU:21.21,24.28,(7.5,2.61,;7.5,4.15,;5.96,4.15,;9.04,4.15,;7.5,5.69,;8.84,6.46,;8.84,8,;7.5,8.77,;7.5,10.31,;6.17,11.08,;4.84,10.31,;4.84,8.77,;3.5,8,;2.17,8.77,;.83,8,;.83,6.46,;-.5,8.77,;-1.83,8,;-2.23,6.51,;-3.72,6.91,;-3.32,8.39,;-5.05,6.14,;-6.39,6.91,;-7.72,6.14,;-7.72,4.6,;-6.39,3.83,;-5.05,4.6,;-9.05,3.83,;-9.05,2.29,;6.17,8,;6.17,6.46,)| Show InChI InChI=1S/C22H26F3N5O/c1-2-14-3-6-17(7-4-14)30-11-16(12-30)29-20(31)10-26-21-18-9-15(22(23,24)25)5-8-19(18)27-13-28-21/h2,5,8-9,13-14,16-17H,1,3-4,6-7,10-12H2,(H,29,31)(H,26,27,28)/t14-,17+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163443
(US9062048, 70)Show SMILES Nc1ccc(nc1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.1,2,;-9.56,2,;-8.79,.67,;-7.25,.67,;-6.48,2,;-7.25,3.33,;-8.79,3.33,;-4.94,2,;-4.17,3.33,;-2.63,3.33,;-1.86,2,;-2.63,.67,;-4.17,.67,;-.32,2,;.77,3.09,;1.86,2,;.77,.91,;3.4,2,;4.17,.67,;3.4,-.67,;5.71,.67,;6.48,2,;8.02,2,;8.79,3.33,;10.33,3.33,;11.1,2,;10.33,.67,;11.1,-.67,;10.33,-2,;8.79,-2,;8.02,-.67,;8.79,.67,;8.02,-3.33,;7.25,-4.67,;6.48,-3.33,;8.79,-4.67,)| Show InChI InChI=1S/C25H28F3N7O/c26-25(27,28)16-3-7-22-20(9-16)24(33-14-32-22)31-11-23(36)34-18-12-35(13-18)19-5-1-15(2-6-19)21-8-4-17(29)10-30-21/h3-4,7-10,14-15,18-19H,1-2,5-6,11-13,29H2,(H,34,36)(H,31,32,33) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163418
(US9062048, 62)Show SMILES NC(=O)c1cc(NCC(=O)NC2CN(C2)[C@H]2CC[C@](O)(CC2)c2cncs2)c2cc(ccc2n1)C(F)(F)F |r,wU:15.15,wD:18.19,(8.8,-5.79,;7.46,-5.02,;6.13,-5.79,;7.46,-3.48,;6.13,-2.71,;6.13,-1.17,;4.8,-.4,;3.46,-1.17,;2.13,-.4,;2.13,1.14,;.79,-1.17,;-.54,-.4,;-2.03,-.8,;-2.43,.69,;-.94,1.09,;-3.76,1.46,;-5.09,.69,;-6.43,1.46,;-6.43,3,;-7.76,2.23,;-5.09,3.77,;-3.76,3,;-7.76,3.77,;-9.23,3.3,;-10.13,4.54,;-9.23,5.79,;-7.76,5.31,;7.46,-.4,;7.46,1.14,;8.8,1.91,;10.13,1.14,;10.13,-.4,;8.8,-1.17,;8.8,-2.71,;8.8,3.45,;7.46,4.22,;10.13,4.22,;8.8,4.99,)| Show InChI InChI=1S/C25H27F3N6O3S/c26-25(27,28)14-1-2-18-17(7-14)19(8-20(33-18)23(29)36)31-10-22(35)32-15-11-34(12-15)16-3-5-24(37,6-4-16)21-9-30-13-38-21/h1-2,7-9,13,15-16,37H,3-6,10-12H2,(H2,29,36)(H,31,33)(H,32,35)/t16-,24- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163270
(US9062048, 10)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3OCC=C3)c2c1 |r,wU:21.21,24.28,c:32,(8.86,.51,;8.86,2.05,;7.32,2.05,;10.4,2.05,;8.86,3.59,;10.19,4.36,;10.19,5.9,;8.86,6.67,;8.86,8.21,;7.52,8.98,;6.19,8.21,;6.19,6.67,;4.85,5.9,;3.54,6.67,;2.2,5.9,;2.2,4.36,;.87,6.67,;-.47,5.9,;-1.8,6.67,;-2.57,5.34,;-1.24,4.57,;-3.9,4.57,;-5.24,5.34,;-6.57,4.57,;-6.57,3.03,;-5.24,2.26,;-3.9,3.03,;-7.9,2.26,;-9.15,3.16,;-10.4,2.26,;-9.92,.79,;-8.38,.79,;7.52,5.9,;7.52,4.36,)| Show InChI InChI=1S/C24H28F3N5O2/c25-24(26,27)16-5-8-20-19(10-16)23(30-14-29-20)28-11-22(33)31-17-12-32(13-17)18-6-3-15(4-7-18)21-2-1-9-34-21/h1-2,5,8,10,14-15,17-18,21H,3-4,6-7,9,11-13H2,(H,31,33)(H,28,29,30)/t15-,18+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163552
(US9062048, 147)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cnnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(-7.5,-.5,;-6.17,-1.27,;-5.4,-2.61,;-3.86,-2.61,;-3.09,-1.27,;-3.86,.06,;-5.4,.06,;-1.55,-1.27,;-.46,-2.36,;.63,-1.27,;-.46,-.19,;2.17,-1.27,;2.94,.06,;2.17,1.39,;4.48,.06,;5.25,-1.27,;6.79,-1.27,;7.56,-2.61,;9.1,-2.61,;9.87,-1.27,;9.1,.06,;9.87,1.39,;9.1,2.73,;7.56,2.73,;6.79,1.39,;7.56,.06,;6.79,4.06,;6.02,5.39,;5.3,3.66,;7.56,5.39,;-7.5,-2.04,;-7.5,-3.58,;-8.97,-4.06,;-9.87,-2.81,;-8.97,-1.57,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(7-14)19(8-29-31-18)28-10-21(33)30-15-11-32(12-15)16-3-5-22(34,6-4-16)20-9-27-13-35-20/h1-2,7-9,13,15-16,34H,3-6,10-12H2,(H,28,31)(H,30,33)/t16-,22- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163285
(US9062048, 13)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCC(=O)N3)c2c1 |r,wU:24.28,21.21,(2.28,9.01,;3.61,8.24,;3.61,9.78,;2.28,7.47,;4.94,7.47,;6.28,8.24,;7.61,7.47,;7.61,5.93,;8.95,5.16,;8.95,3.62,;7.61,2.85,;6.28,3.62,;4.94,2.85,;4.94,1.31,;3.61,.54,;2.28,1.31,;3.61,-1,;2.28,-1.77,;1.88,-3.25,;.39,-2.85,;.79,-1.37,;-.94,-3.62,;-2.28,-2.85,;-3.61,-3.62,;-3.61,-5.16,;-2.28,-5.93,;-.94,-5.16,;-4.94,-5.93,;-4.94,-7.47,;-6.28,-8.24,;-7.61,-7.47,;-7.61,-5.93,;-8.95,-5.16,;-6.28,-5.16,;6.28,5.16,;4.94,5.93,)| Show InChI InChI=1S/C25H31F3N6O2/c26-25(27,28)16-6-9-21-19(10-16)24(31-14-30-21)29-11-23(36)32-17-12-34(13-17)18-7-4-15(5-8-18)20-2-1-3-22(35)33-20/h6,9-10,14-15,17-18,20H,1-5,7-8,11-13H2,(H,32,36)(H,33,35)(H,29,30,31)/t15-,18+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163303
(US9062048, 18)Show SMILES CSCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-11.1,-2.08,;-9.77,-2.85,;-8.44,-2.08,;-7.1,-2.85,;-7.1,-4.39,;-5.77,-2.08,;-5.77,-.54,;-4.44,.23,;-3.1,-.54,;-3.1,-2.08,;-4.44,-2.85,;-1.77,.23,;-.28,-.17,;.12,1.31,;-1.37,1.71,;1.45,2.08,;2.79,1.31,;2.79,-.23,;4.12,2.08,;5.45,1.31,;6.79,2.08,;6.79,3.62,;8.12,4.39,;9.45,3.62,;9.45,2.08,;10.79,1.31,;10.79,-.23,;9.45,-1,;8.12,-.23,;8.12,1.31,;9.45,-2.54,;9.45,-4.08,;7.91,-2.54,;10.99,-2.54,)| Show InChI InChI=1S/C23H30F3N5O2S/c1-34-12-20(32)14-2-5-17(6-3-14)31-10-16(11-31)30-21(33)9-27-22-18-8-15(23(24,25)26)4-7-19(18)28-13-29-22/h4,7-8,13-14,16-17,20,32H,2-3,5-6,9-12H2,1H3,(H,30,33)(H,27,28,29)/t14-,17+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163606
(US9062048, (+) 8 | US9062048, (-) 8)Show SMILES CC(C)C(O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(6.67,-19.89,;6.67,-18.35,;5.33,-17.58,;8,-17.58,;9.34,-18.35,;8,-16.04,;9.34,-15.27,;9.34,-13.73,;8,-12.96,;6.67,-13.73,;6.67,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-6-18(7-4-15)32-11-17(12-32)31-21(33)10-28-23-19-9-16(24(25,26)27)5-8-20(19)29-13-30-23/h5,8-9,13-15,17-18,22,34H,3-4,6-7,10-12H2,1-2H3,(H,31,33)(H,28,29,30) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM50425705
(CHEMBL2315922 | US9062048, 83)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1nccs1 |r,wU:4.7,wD:1.0,(52.5,-3.46,;53.29,-4.8,;54.1,-6.11,;55.64,-6.07,;56.36,-4.71,;55.55,-3.4,;54.02,-3.45,;57.9,-4.66,;58.95,-3.53,;60.08,-4.58,;59.03,-5.71,;61.62,-4.53,;62.43,-5.84,;61.71,-7.19,;63.97,-5.79,;64.78,-7.09,;66.32,-7.04,;67.14,-8.35,;68.69,-8.3,;69.41,-6.94,;68.59,-5.63,;69.31,-4.27,;68.5,-2.97,;66.96,-3.02,;66.23,-4.38,;67.05,-5.68,;66.15,-1.71,;66.88,-.36,;64.61,-1.76,;65.37,-.37,;51.75,-4.85,;50.88,-6.14,;49.4,-5.71,;49.35,-4.17,;50.8,-3.64,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(9-14)20(30-13-29-18)28-10-19(33)31-15-11-32(12-15)16-3-5-22(34,6-4-16)21-27-7-8-35-21/h1-2,7-9,13,15-16,34H,3-6,10-12H2,(H,31,33)(H,28,29,30)/t16-,22- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163448
(US9062048, 75)Show SMILES Cc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.15,wD:7.8,(-11.1,2,;-9.56,2,;-8.79,3.33,;-7.25,3.33,;-6.48,2,;-7.25,.67,;-8.79,.67,;-4.94,2,;-5.71,3.33,;-4.17,.67,;-2.63,.67,;-1.86,2,;-2.63,3.33,;-4.17,3.33,;-.32,2,;.77,.91,;1.86,2,;.77,3.09,;3.4,2,;4.17,.67,;3.4,-.67,;5.71,.67,;6.48,2,;8.02,2,;8.79,3.33,;10.33,3.33,;11.1,2,;10.33,.67,;11.1,-.67,;10.33,-2,;8.79,-2,;8.02,-.67,;8.79,.67,;8.02,-3.33,;7.25,-4.67,;6.48,-3.33,;8.79,-4.67,)| Show InChI InChI=1S/C26H29F3N6O2/c1-16-2-3-18(11-30-16)25(37)8-6-20(7-9-25)35-13-19(14-35)34-23(36)12-31-24-21-10-17(26(27,28)29)4-5-22(21)32-15-33-24/h2-5,10-11,15,19-20,37H,6-9,12-14H2,1H3,(H,34,36)(H,31,32,33)/t20-,25- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163277
(US9062048, 11)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CC=CC(=O)N3)c2c1 |r,wU:24.28,21.21,c:31,(2.28,9.01,;3.61,8.24,;4.01,9.73,;2.52,7.16,;4.94,7.47,;6.28,8.24,;7.61,7.47,;7.61,5.93,;8.95,5.16,;8.95,3.62,;7.61,2.85,;6.28,3.62,;4.94,2.85,;4.94,1.31,;3.61,.54,;2.28,1.31,;3.61,-1,;2.28,-1.77,;1.88,-3.25,;.39,-2.85,;.79,-1.37,;-.94,-3.62,;-2.28,-2.85,;-3.61,-3.62,;-3.61,-5.16,;-2.28,-5.93,;-.94,-5.16,;-4.94,-5.93,;-4.94,-7.47,;-6.28,-8.24,;-7.61,-7.47,;-7.61,-5.93,;-8.95,-5.16,;-6.28,-5.16,;6.28,5.16,;4.94,5.93,)| Show InChI InChI=1S/C25H29F3N6O2/c26-25(27,28)16-6-9-21-19(10-16)24(31-14-30-21)29-11-23(36)32-17-12-34(13-17)18-7-4-15(5-8-18)20-2-1-3-22(35)33-20/h1,3,6,9-10,14-15,17-18,20H,2,4-5,7-8,11-13H2,(H,32,36)(H,33,35)(H,29,30,31)/t15-,18+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM60422
(US9062048, 84)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1nccs1 |r,wU:4.7,1.33,wD:1.0,(-7.34,4.36,;-6.57,3.03,;-5.24,2.26,;-3.9,3.03,;-3.9,4.57,;-5.24,5.34,;-6.57,4.57,;-2.57,5.34,;-1.8,6.67,;-.47,5.9,;-1.24,4.57,;.87,6.67,;2.2,5.9,;2.2,4.36,;3.54,6.67,;4.85,5.9,;6.19,6.67,;6.19,8.21,;7.52,8.98,;8.86,8.21,;8.86,6.67,;10.19,5.9,;10.19,4.36,;8.86,3.59,;7.52,4.36,;7.52,5.9,;8.86,2.05,;8.86,.51,;7.32,2.05,;10.4,2.05,;-7.9,2.26,;-8.38,.79,;-9.92,.79,;-10.4,2.26,;-9.15,3.16,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(9-14)20(30-13-29-18)28-10-19(33)31-15-11-32(12-15)16-3-5-22(34,6-4-16)21-27-7-8-35-21/h1-2,7-9,13,15-16,34H,3-6,10-12H2,(H,31,33)(H,28,29,30)/t16-,22- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163461
(US9062048, 90)Show SMILES CCCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-9.61,-4.39,;-9.61,-2.85,;-8.28,-2.08,;-8.28,-.54,;-9.61,.23,;-6.94,.23,;-6.94,1.77,;-5.61,2.54,;-4.28,1.77,;-4.28,.23,;-5.61,-.54,;-2.94,2.54,;-2.55,4.02,;-1.06,3.62,;-1.46,2.14,;.28,4.39,;1.61,3.62,;2.94,4.39,;1.61,2.08,;2.94,1.31,;2.94,-.23,;1.61,-1,;1.61,-2.54,;2.94,-3.31,;4.28,-2.54,;5.61,-3.31,;6.94,-2.54,;6.94,-1,;5.61,-.23,;4.28,-1,;8.28,-.23,;9.61,.54,;9.05,-1.56,;7.51,1.11,)| Show InChI InChI=1S/C24H32F3N5O2/c1-2-3-21(33)15-4-7-18(8-5-15)32-12-17(13-32)31-22(34)11-28-23-19-10-16(24(25,26)27)6-9-20(19)29-14-30-23/h6,9-10,14-15,17-18,21,33H,2-5,7-8,11-13H2,1H3,(H,31,34)(H,28,29,30)/t15-,18+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163481
(US9062048, 106)Show SMILES CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-8.28,1.99,;-9.61,1.22,;-9.61,-.32,;-8.28,-1.09,;-8.28,-2.63,;-6.94,-.32,;-5.61,-1.09,;-4.28,-.32,;-4.28,1.22,;-5.61,1.99,;-6.94,1.22,;-2.94,1.99,;-1.46,1.59,;-1.06,3.08,;-2.55,3.48,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C23H28F3N5O3/c1-2-34-22(33)14-3-6-17(7-4-14)31-11-16(12-31)30-20(32)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17H,2-4,6-7,10-12H2,1H3,(H,30,32)(H,27,28,29)/t14-,17+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM60421
(US9062048, 5)Show SMILES [H][C@@]1(CC[C@]([H])(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(O)C1CC1 |r,wD:4.4,1.0,(9.49,-16.44,;8,-16.04,;6.67,-15.27,;6.67,-13.73,;8,-12.96,;9.34,-12.19,;9.34,-13.73,;9.34,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,;8,-17.58,;9.34,-18.35,;6.67,-18.35,;5.9,-19.68,;5.13,-18.35,)| Show InChI InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(9-16)23(30-13-29-20)28-10-21(33)31-17-11-32(12-17)18-6-3-15(4-7-18)22(34)14-1-2-14/h5,8-9,13-15,17-18,22,34H,1-4,6-7,10-12H2,(H,31,33)(H,28,29,30)/t15-,18+,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163480
(US9062048, 105)Show SMILES CCOCC1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-8.28,1.99,;-9.61,1.22,;-9.61,-.32,;-8.28,-1.09,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-1.46,1.59,;-1.06,3.08,;-2.55,3.48,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C23H30F3N5O2/c1-2-33-13-15-3-6-18(7-4-15)31-11-17(12-31)30-21(32)10-27-22-19-9-16(23(24,25)26)5-8-20(19)28-14-29-22/h5,8-9,14-15,17-18H,2-4,6-7,10-13H2,1H3,(H,30,32)(H,27,28,29) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163402
(US9062048, 55)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1 |r,wU:21.21,24.28,(10.28,-1.54,;8.95,-.77,;8.95,.77,;8.95,-2.31,;7.61,-1.54,;7.61,-3.08,;6.28,-3.85,;4.94,-3.08,;3.61,-3.85,;2.28,-3.08,;2.28,-1.54,;3.61,-.77,;3.61,.77,;2.28,1.54,;2.28,3.08,;3.61,3.85,;.94,3.85,;-.39,3.08,;-1.88,3.48,;-2.28,1.99,;-.79,1.59,;-3.61,1.22,;-3.61,-.32,;-4.94,-1.09,;-6.28,-.32,;-6.28,1.22,;-4.94,1.99,;-7.61,-1.09,;-7.61,-2.63,;-8.95,-3.4,;-10.28,-2.63,;-10.28,-1.09,;-8.95,-.32,;-8.95,1.22,;4.94,-1.54,;6.28,-.77,)| Show InChI InChI=1S/C25H27F3N6O2/c26-25(27,28)16-4-9-21-20(11-16)24(31-15-30-21)29-12-22(35)32-17-13-33(14-17)18-5-7-19(8-6-18)34-10-2-1-3-23(34)36/h1-4,9-11,15,17-19H,5-8,12-14H2,(H,32,35)(H,29,30,31)/t18-,19+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM50425706
(CHEMBL2315921 | US9062048, 78)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccccc1 |r,wU:4.7,wD:1.0,(28.7,-4.79,;29.48,-6.14,;30.29,-7.45,;31.83,-7.4,;32.56,-6.04,;31.74,-4.74,;30.21,-4.78,;34.1,-5.99,;35.15,-4.87,;36.28,-5.92,;35.22,-7.05,;37.82,-5.87,;38.63,-7.17,;37.9,-8.53,;40.17,-7.12,;40.98,-8.43,;42.52,-8.38,;43.33,-9.69,;44.88,-9.63,;45.6,-8.27,;44.79,-6.97,;45.51,-5.61,;44.7,-4.31,;43.16,-4.36,;42.43,-5.71,;43.24,-7.02,;42.35,-3.05,;43.07,-1.69,;40.81,-3.1,;41.56,-1.71,;27.94,-6.19,;27.14,-4.88,;25.61,-4.92,;24.87,-6.28,;25.68,-7.59,;27.22,-7.54,)| Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)18-6-7-22-21(12-18)24(32-16-31-22)30-13-23(35)33-19-14-34(15-19)20-8-10-25(36,11-9-20)17-4-2-1-3-5-17/h1-7,12,16,19-20,36H,8-11,13-15H2,(H,33,35)(H,30,31,32)/t20-,25- | KEGG
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM50425707
(CHEMBL2315920 | US9062048, 107)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3)c2c1 |r,wU:21.21,24.28,(19.25,-1.63,;18.52,-2.99,;16.99,-3.03,;17.74,-1.65,;19.33,-4.29,;20.87,-4.25,;21.69,-5.55,;20.97,-6.91,;21.78,-8.21,;21.06,-9.57,;19.51,-9.63,;18.69,-8.32,;17.16,-8.37,;16.34,-7.06,;14.81,-7.11,;14.08,-8.47,;13.99,-5.81,;12.46,-5.86,;11.32,-4.81,;10.27,-5.93,;11.4,-6.98,;8.74,-5.98,;8.01,-7.34,;6.47,-7.38,;5.66,-6.08,;6.39,-4.72,;7.92,-4.67,;4.11,-6.13,;3.31,-4.81,;1.79,-4.86,;1.04,-6.21,;1.86,-7.53,;3.4,-7.48,;19.42,-6.96,;18.61,-5.65,)| Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)19-8-11-23-22(12-19)25(32-16-31-23)30-13-24(35)33-20-14-34(15-20)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h1-5,8,11-12,16,18,20-21H,6-7,9-10,13-15H2,(H,33,35)(H,30,31,32)/t18-,21+ | KEGG
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163566
(BDBM163611 | US9062048, 153 | US9062048, 154)Show SMILES CCC(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nncc2ccc(cc12)C(F)(F)F |r,wU:7.10,wD:4.3,(-9.81,-5.59,;-8.47,-6.36,;-7.14,-5.59,;-7.14,-4.05,;-5.81,-6.36,;-5.81,-7.9,;-4.47,-8.67,;-3.14,-7.9,;-3.14,-6.36,;-4.47,-5.59,;-1.81,-8.67,;-.32,-8.27,;.08,-9.76,;-1.41,-10.16,;1.41,-10.53,;2.75,-9.76,;2.75,-8.22,;4.08,-10.53,;5.41,-9.76,;6.75,-10.53,;6.75,-12.07,;8.08,-12.84,;9.41,-12.07,;9.41,-10.53,;10.75,-9.76,;10.75,-8.22,;9.41,-7.45,;8.08,-8.22,;8.08,-9.76,;9.41,-5.91,;9.41,-4.37,;10.95,-5.91,;7.87,-5.91,)| Show InChI InChI=1S/C23H30F3N5O2/c1-2-20(32)14-4-7-18(8-5-14)31-12-17(13-31)29-21(33)11-27-22-19-9-16(23(24,25)26)6-3-15(19)10-28-30-22/h3,6,9-10,14,17-18,20,32H,2,4-5,7-8,11-13H2,1H3,(H,27,30)(H,29,33)/t14-,18-,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163288
(US9062048, 14)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCCO3)c2c1 |r,wU:24.28,21.21,(1.61,9.01,;2.94,8.24,;2.94,9.78,;1.61,7.47,;4.28,7.47,;5.61,8.24,;6.94,7.47,;6.94,5.93,;8.28,5.16,;8.28,3.62,;6.94,2.85,;5.61,3.62,;4.28,2.85,;4.28,1.31,;2.94,.54,;1.61,1.31,;2.94,-1,;1.61,-1.77,;1.21,-3.25,;-.28,-2.85,;.12,-1.37,;-1.61,-3.62,;-2.94,-2.85,;-4.28,-3.62,;-4.28,-5.16,;-2.94,-5.93,;-1.61,-5.16,;-5.61,-5.93,;-5.61,-7.47,;-6.94,-8.24,;-8.28,-7.47,;-8.28,-5.93,;-6.94,-5.16,;5.61,5.16,;4.28,5.93,)| Show InChI InChI=1S/C25H32F3N5O2/c26-25(27,28)17-6-9-21-20(11-17)24(31-15-30-21)29-12-23(34)32-18-13-33(14-18)19-7-4-16(5-8-19)22-3-1-2-10-35-22/h6,9,11,15-16,18-19,22H,1-5,7-8,10,12-14H2,(H,32,34)(H,29,30,31)/t16-,19+,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163306
(US9062048, 19)Show SMILES OC(CN=[N+]=[N-])[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.5,9.12,(-7.77,-3.58,;-7.77,-2.04,;-9.1,-1.27,;-9.1,.27,;-10.44,1.04,;-11.77,1.81,;-6.44,-1.27,;-6.44,.27,;-5.1,1.04,;-3.77,.27,;-3.77,-1.27,;-5.1,-2.04,;-2.43,1.04,;-.95,.64,;-.55,2.13,;-2.04,2.53,;.79,2.9,;2.12,2.13,;2.12,.59,;3.45,2.9,;4.79,2.13,;6.12,2.9,;6.12,4.44,;7.45,5.21,;8.79,4.44,;8.79,2.9,;10.12,2.13,;10.12,.59,;8.79,-.18,;7.45,.59,;7.45,2.13,;8.79,-1.72,;8.79,-3.26,;7.25,-1.72,;10.33,-1.72,)| Show InChI InChI=1S/C22H27F3N8O2/c23-22(24,25)14-3-6-18-17(7-14)21(29-12-28-18)27-9-20(35)31-15-10-33(11-15)16-4-1-13(2-5-16)19(34)8-30-32-26/h3,6-7,12-13,15-16,19,34H,1-2,4-5,8-11H2,(H,31,35)(H,27,28,29)/t13-,16+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163462
(US9062048, 91)Show SMILES OC(CC=C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-9.61,.23,;-8.28,-.54,;-8.28,-2.08,;-9.61,-2.85,;-9.61,-4.39,;-6.94,.23,;-6.94,1.77,;-5.61,2.54,;-4.28,1.77,;-4.28,.23,;-5.61,-.54,;-2.94,2.54,;-2.55,4.02,;-1.06,3.62,;-1.46,2.14,;.28,4.39,;1.61,3.62,;2.94,4.39,;1.61,2.08,;2.94,1.31,;2.94,-.23,;1.61,-1,;1.61,-2.54,;2.94,-3.31,;4.28,-2.54,;5.61,-3.31,;6.94,-2.54,;6.94,-1,;5.61,-.23,;4.28,-1,;8.28,-.23,;9.61,.54,;9.05,-1.56,;7.51,1.11,)| Show InChI InChI=1S/C24H30F3N5O2/c1-2-3-21(33)15-4-7-18(8-5-15)32-12-17(13-32)31-22(34)11-28-23-19-10-16(24(25,26)27)6-9-20(19)29-14-30-23/h2,6,9-10,14-15,17-18,21,33H,1,3-5,7-8,11-13H2,(H,31,34)(H,28,29,30)/t15-,18+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163463
(US9062048, 92)Show SMILES OC(C=C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.10,4.3,(-9.61,-.32,;-8.28,-1.09,;-8.28,-2.63,;-9.61,-3.4,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-2.55,3.48,;-1.06,3.08,;-1.46,1.59,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C23H28F3N5O2/c1-2-20(32)14-3-6-17(7-4-14)31-11-16(12-31)30-21(33)10-27-22-18-9-15(23(24,25)26)5-8-19(18)28-13-29-22/h2,5,8-9,13-14,16-17,20,32H,1,3-4,6-7,10-12H2,(H,30,33)(H,27,28,29)/t14-,17+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163444
(US9062048, 71)Show SMILES Nc1cccnc1[C@H]1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.7,(-7.25,-.67,;-8.02,.67,;-9.56,.67,;-10.33,2,;-9.56,3.33,;-8.02,3.33,;-7.25,2,;-5.71,2,;-4.94,3.33,;-3.4,3.33,;-2.63,2,;-3.4,.67,;-4.94,.67,;-1.09,2,;,3.09,;1.09,2,;,.91,;2.63,2,;3.4,.67,;2.63,-.67,;4.94,.67,;5.71,2,;7.25,2,;8.02,3.33,;9.56,3.33,;10.33,2,;9.56,.67,;10.33,-.67,;9.56,-2,;8.02,-2,;7.25,-.67,;8.02,.67,;7.25,-3.33,;6.48,-4.67,;5.71,-3.33,;8.02,-4.67,)| Show InChI InChI=1S/C25H28F3N7O/c26-25(27,28)16-5-8-21-19(10-16)24(33-14-32-21)31-11-22(36)34-17-12-35(13-17)18-6-3-15(4-7-18)23-20(29)2-1-9-30-23/h1-2,5,8-10,14-15,17-18H,3-4,6-7,11-13,29H2,(H,34,36)(H,31,32,33)/t15-,18? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163332
(US9062048, 27)Show SMILES O[C@]1(CCC(CC1)N1CC(C1)NC(=O)CNc1ccnc2ccc(cc12)C(F)(F)F)c1nccs1 |r,wD:1.0,(-7.86,-1.08,;-6.53,-1.85,;-5.2,-2.62,;-3.86,-1.85,;-3.86,-.31,;-5.2,.46,;-6.53,-.31,;-2.53,.46,;-2.13,1.95,;-.64,1.55,;-1.04,.06,;.69,2.32,;2.02,1.55,;2.02,.01,;3.36,2.32,;4.69,1.55,;6.03,2.32,;6.03,3.86,;7.36,4.63,;8.69,3.86,;8.69,2.32,;10.03,1.55,;10.03,.01,;8.69,-.76,;7.36,.01,;7.36,1.55,;8.69,-2.3,;8.69,-3.84,;7.15,-2.3,;10.23,-2.3,;-7.86,-2.62,;-9.33,-2.14,;-10.23,-3.39,;-9.33,-4.63,;-7.86,-4.16,)| Show InChI InChI=1S/C24H26F3N5O2S/c25-24(26,27)15-1-2-19-18(11-15)20(5-8-28-19)30-12-21(33)31-16-13-32(14-16)17-3-6-23(34,7-4-17)22-29-9-10-35-22/h1-2,5,8-11,16-17,34H,3-4,6-7,12-14H2,(H,28,30)(H,31,33)/t17?,23- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163449
(US9062048, 76)Show SMILES COc1ccc(cn1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.48,3.33,;-10.71,2,;-9.17,2,;-8.4,3.33,;-6.86,3.33,;-6.09,2,;-6.86,.67,;-8.4,.67,;-4.55,2,;-5.32,3.33,;-3.78,.67,;-2.24,.67,;-1.47,2,;-2.24,3.33,;-3.78,3.33,;.07,2,;1.15,.91,;2.24,2,;1.15,3.09,;3.78,2,;4.55,.67,;3.78,-.67,;6.09,.67,;6.86,2,;8.4,2,;9.17,3.33,;10.71,3.33,;11.48,2,;10.71,.67,;11.48,-.67,;10.71,-2,;9.17,-2,;8.4,-.67,;9.17,.67,;8.4,-3.33,;7.63,-4.67,;6.86,-3.33,;9.17,-4.67,)| Show InChI InChI=1S/C26H29F3N6O3/c1-38-23-5-3-17(11-30-23)25(37)8-6-19(7-9-25)35-13-18(14-35)34-22(36)12-31-24-20-10-16(26(27,28)29)2-4-21(20)32-15-33-24/h2-5,10-11,15,18-19,37H,6-9,12-14H2,1H3,(H,34,36)(H,31,32,33) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163470
(US9062048, 99)Show SMILES OC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:5.8,2.1,(-9.61,.26,;-8.28,-.51,;-6.94,.26,;-6.94,1.8,;-5.61,2.57,;-4.28,1.8,;-4.28,.26,;-5.61,-.51,;-2.94,2.57,;-1.46,2.17,;-1.06,3.65,;-2.55,4.05,;.28,4.42,;1.61,3.65,;2.94,4.42,;1.61,2.11,;2.94,1.34,;2.94,-.2,;1.61,-.97,;1.61,-2.51,;2.94,-3.28,;4.28,-2.51,;5.61,-3.28,;6.94,-2.51,;6.94,-.97,;5.61,-.2,;4.28,-.97,;8.28,-.2,;9.61,.57,;9.05,-1.53,;7.51,1.14,;-8.28,-2.05,;-9.52,-2.96,;-9.05,-4.42,;-7.51,-4.42,;-7.03,-2.96,)| Show InChI InChI=1S/C24H27F3N6O2S/c25-24(26,27)15-3-6-19-18(7-15)23(31-12-30-19)29-9-21(34)32-16-10-33(11-16)17-4-1-14(2-5-17)22(35)20-8-28-13-36-20/h3,6-8,12-14,16-17,22,35H,1-2,4-5,9-11H2,(H,32,34)(H,29,30,31)/t14-,17+,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163482
(US9062048, 108)Show SMILES OCC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.9,3.2,(-9.61,-3.4,;-8.28,-2.63,;-8.28,-1.09,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-1.46,1.59,;-1.06,3.08,;-2.55,3.48,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C22H28F3N5O2/c23-22(24,25)15-3-6-19-18(9-15)21(28-13-27-19)26-10-20(32)29-16-11-30(12-16)17-4-1-14(2-5-17)7-8-31/h3,6,9,13-14,16-17,31H,1-2,4-5,7-8,10-12H2,(H,29,32)(H,26,27,28)/t14-,17+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163561
(US9062048, 148 | US9062048, 149)Show SMILES O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nncc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wD:4.7,1.0,(-7.49,-5.39,;-6.16,-6.16,;-5.39,-4.83,;-3.85,-4.83,;-3.08,-6.16,;-3.85,-7.5,;-5.39,-7.5,;-1.54,-6.16,;-.45,-5.07,;.64,-6.16,;-.45,-7.25,;2.18,-6.16,;2.95,-4.83,;2.18,-3.49,;4.49,-4.83,;5.26,-6.16,;4.49,-7.5,;2.95,-7.5,;2.18,-8.83,;2.95,-10.16,;4.49,-10.16,;5.26,-11.5,;6.8,-11.5,;7.57,-10.16,;6.8,-8.83,;5.26,-8.83,;9.11,-10.16,;10.65,-10.16,;9.11,-11.7,;9.11,-8.62,;-7.49,-6.93,;-7.49,-8.47,;-8.96,-8.95,;-9.86,-7.7,;-8.96,-6.46,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)15-2-1-14-8-29-31-21(18(14)7-15)28-10-20(33)30-16-11-32(12-16)17-3-5-22(34,6-4-17)19-9-27-13-35-19/h1-2,7-9,13,16-17,34H,3-6,10-12H2,(H,28,31)(H,30,33)/t17-,22+ | KEGG
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| US Patent
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163587
(US9062048, 165 | US9062048, 166)Show SMILES O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wD:1.0,4.7,(-7.84,-8.04,;-6.5,-7.27,;-6.5,-5.73,;-5.17,-4.96,;-3.84,-5.73,;-3.84,-7.27,;-5.17,-8.04,;-2.5,-4.96,;-1.02,-5.36,;-.62,-3.87,;-2.1,-3.47,;.72,-3.1,;2.05,-3.87,;2.05,-5.41,;3.38,-3.1,;4.72,-3.87,;6.05,-3.1,;6.05,-1.56,;7.39,-.79,;8.72,-1.56,;8.72,-3.1,;10.05,-3.87,;10.05,-5.41,;8.72,-6.18,;7.39,-5.41,;7.39,-3.87,;8.72,-7.72,;8.72,-9.26,;7.18,-7.72,;10.26,-7.72,;-7.84,-6.5,;-8.74,-7.75,;-10.21,-7.27,;-10.21,-5.73,;-8.74,-5.26,)| Show InChI InChI=1S/C24H26F3N5O2S/c25-24(26,27)16-2-1-15-5-8-29-22(19(15)9-16)30-11-21(33)31-17-12-32(13-17)18-3-6-23(34,7-4-18)20-10-28-14-35-20/h1-2,5,8-10,14,17-18,34H,3-4,6-7,11-13H2,(H,29,30)(H,31,33)/t18-,23+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163284
(US9062048, 12)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCC(=O)N3)c2c1 |r,wU:24.28,21.21,(2.23,8.87,;3.56,8.1,;3.56,9.64,;2.23,7.33,;4.9,7.33,;6.23,8.1,;7.57,7.33,;7.57,5.79,;8.9,5.02,;8.9,3.48,;7.57,2.71,;6.23,3.48,;4.9,2.71,;4.9,1.17,;3.56,.4,;2.23,1.17,;3.56,-1.14,;2.23,-1.91,;1.83,-3.4,;.34,-3,;.74,-1.51,;-.99,-3.77,;-2.32,-3,;-3.66,-3.77,;-3.66,-5.31,;-2.32,-6.08,;-.99,-5.31,;-4.99,-6.08,;-4.99,-7.62,;-6.45,-8.1,;-7.36,-6.85,;-8.9,-6.85,;-6.45,-5.61,;6.23,5.02,;4.9,5.79,)| Show InChI InChI=1S/C24H29F3N6O2/c25-24(26,27)15-3-6-20-18(9-15)23(30-13-29-20)28-10-22(35)31-16-11-33(12-16)17-4-1-14(2-5-17)19-7-8-21(34)32-19/h3,6,9,13-14,16-17,19H,1-2,4-5,7-8,10-12H2,(H,31,35)(H,32,34)(H,28,29,30)/t14-,17+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163445
(US9062048, 72)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(CC3)c3ccccc3C#N)c2c1 |(6.48,-4.67,;7.25,-3.33,;5.71,-3.33,;8.02,-4.67,;8.02,-2,;9.56,-2,;10.33,-.67,;9.56,.67,;10.33,2,;9.56,3.33,;8.02,3.33,;7.25,2,;5.71,2,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;,3.09,;-1.09,2,;,.91,;-2.63,2,;-3.4,3.33,;-4.94,3.33,;-5.71,2,;-4.94,.67,;-3.4,.67,;-7.25,2,;-8.02,3.33,;-9.56,3.33,;-10.33,2,;-9.56,.67,;-7.94,.55,;-7.17,-.78,;-6.39,-2.11,;8.02,.67,;7.25,-.67,)| Show InChI InChI=1S/C27H27F3N6O/c28-27(29,30)19-7-10-24-23(11-19)26(34-16-33-24)32-13-25(37)35-20-14-36(15-20)21-8-5-17(6-9-21)22-4-2-1-3-18(22)12-31/h1-4,7,10-11,16-17,20-21H,5-6,8-9,13-15H2,(H,35,37)(H,32,33,34) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163464
(US9062048, 93)Show SMILES CCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.10,4.3,(-9.61,-3.4,;-8.28,-2.63,;-8.28,-1.09,;-9.61,-.32,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-2.55,3.48,;-1.06,3.08,;-1.46,1.59,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C23H30F3N5O2/c1-2-20(32)14-3-6-17(7-4-14)31-11-16(12-31)30-21(33)10-27-22-18-9-15(23(24,25)26)5-8-19(18)28-13-29-22/h5,8-9,13-14,16-17,20,32H,2-4,6-7,10-12H2,1H3,(H,30,33)(H,27,28,29)/t14-,17+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163259
(US9062048, 3)Show SMILES OC(C1CC1)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.12,5.5,(-9.72,-1.42,;-8.39,-2.19,;-8.39,-3.73,;-9.16,-5.06,;-7.62,-5.06,;-7.05,-1.42,;-7.05,.12,;-5.72,.89,;-4.39,.12,;-4.39,-1.42,;-5.72,-2.19,;-3.05,.89,;-1.56,.49,;-1.17,1.98,;-2.65,2.38,;.17,2.75,;1.5,1.98,;1.5,.44,;2.84,2.75,;4.17,1.98,;5.5,2.75,;5.5,4.29,;6.84,5.06,;8.17,4.29,;8.17,2.75,;9.5,1.98,;9.5,.44,;8.17,-.33,;6.84,.44,;6.84,1.98,;8.17,-1.87,;8.17,-3.41,;6.63,-1.87,;9.71,-1.87,)| Show InChI InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(9-16)23(30-13-29-20)28-10-21(33)31-17-11-32(12-17)18-6-3-15(4-7-18)22(34)14-1-2-14/h5,8-9,13-15,17-18,22,34H,1-4,6-7,10-12H2,(H,31,33)(H,28,29,30)/t15-,18+,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163569
(US9062048, 159 | US9062048, 160)Show SMILES CC(C)C(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nncc2ccc(cc12)C(F)(F)F |r,wU:5.4,wD:8.11,(-9.81,-5.59,;-8.47,-6.36,;-8.47,-7.99,;-7.14,-5.59,;-7.14,-4.05,;-5.81,-6.36,;-4.47,-5.59,;-3.14,-6.36,;-3.14,-7.9,;-4.47,-8.67,;-5.81,-7.9,;-1.81,-8.67,;-.32,-8.27,;.08,-9.76,;-1.41,-10.16,;1.41,-10.53,;2.75,-9.76,;2.75,-8.22,;4.08,-10.53,;5.41,-9.76,;6.75,-10.53,;6.75,-12.07,;8.08,-12.84,;9.41,-12.07,;9.41,-10.53,;10.75,-9.76,;10.75,-8.22,;9.41,-7.45,;8.08,-8.22,;8.08,-9.76,;9.41,-5.91,;9.41,-4.37,;10.95,-5.91,;7.87,-5.91,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-4-7-19(8-5-15)32-12-18(13-32)30-21(33)11-28-23-20-9-17(24(25,26)27)6-3-16(20)10-29-31-23/h3,6,9-10,14-15,18-19,22,34H,4-5,7-8,11-13H2,1-2H3,(H,28,31)(H,30,33)/t15-,19-,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163453
(US9062048, 81)Show SMILES OC1(CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccns1 |(-6.83,3.33,;-6.06,2,;-5.29,.67,;-3.75,.67,;-2.98,2,;-3.75,3.33,;-5.29,3.33,;-1.44,2,;-.36,.91,;.73,2,;-.36,3.09,;2.27,2,;3.04,.67,;2.27,-.67,;4.58,.67,;5.35,2,;6.89,2,;7.66,3.33,;9.2,3.33,;9.97,2,;9.2,.67,;9.97,-.67,;9.2,-2,;7.66,-2,;6.89,-.67,;7.66,.67,;6.89,-3.33,;6.12,-4.67,;5.35,-3.33,;7.66,-4.67,;-7.6,2,;-8.51,3.25,;-9.97,2.77,;-9.97,1.23,;-8.51,.75,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(9-14)21(29-13-28-18)27-10-20(33)31-15-11-32(12-15)16-3-6-22(34,7-4-16)19-5-8-30-35-19/h1-2,5,8-9,13,15-16,34H,3-4,6-7,10-12H2,(H,31,33)(H,27,28,29) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163452
(US9062048, 80)Show SMILES CC(C)c1ncc(s1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-9.97,-1.08,;-9.97,.46,;-11.31,1.23,;-8.64,1.23,;-8.64,2.77,;-7.18,3.25,;-6.27,2,;-7.18,.75,;-4.73,2,;-5.5,3.33,;-3.96,.67,;-2.42,.67,;-1.65,2,;-2.42,3.33,;-3.96,3.33,;-.11,2,;.98,.91,;2.07,2,;.98,3.09,;3.61,2,;4.38,.67,;3.61,-.67,;5.92,.67,;6.69,2,;8.23,2,;9,3.33,;10.54,3.33,;11.31,2,;10.54,.67,;11.31,-.67,;10.54,-2,;9,-2,;8.23,-.67,;9,.67,;8.23,-3.33,;7.46,-4.67,;6.69,-3.33,;9,-4.67,)| Show InChI InChI=1S/C26H31F3N6O2S/c1-15(2)24-31-10-21(38-24)25(37)7-5-18(6-8-25)35-12-17(13-35)34-22(36)11-30-23-19-9-16(26(27,28)29)3-4-20(19)32-14-33-23/h3-4,9-10,14-15,17-18,37H,5-8,11-13H2,1-2H3,(H,34,36)(H,30,32,33) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM50425711
(CHEMBL2315940 | US9062048, 61)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C#N)c1cncs1 |r,wU:4.7,wD:1.0,(28.36,-18.05,;29.15,-19.4,;29.96,-20.71,;31.5,-20.66,;32.23,-19.3,;31.41,-18,;29.88,-18.04,;33.76,-19.25,;34.82,-18.13,;35.95,-19.18,;34.89,-20.31,;37.48,-19.13,;38.3,-20.43,;37.57,-21.79,;39.83,-20.38,;40.65,-21.69,;42.18,-21.64,;43,-22.95,;44.55,-22.89,;45.27,-21.53,;44.46,-20.23,;45.18,-18.87,;44.36,-17.57,;42.82,-17.62,;42.1,-18.97,;42.91,-20.28,;42.01,-16.31,;42.74,-14.95,;40.48,-16.36,;41.23,-14.97,;45.37,-24.2,;46.19,-25.49,;27.61,-19.45,;26.74,-20.73,;25.26,-20.31,;25.21,-18.77,;26.66,-18.24,)| Show InChI InChI=1S/C25H25F3N6O2S/c26-25(27,28)15-1-2-20-19(7-15)21(8-16(9-29)32-20)31-11-23(35)33-17-12-34(13-17)18-3-5-24(36,6-4-18)22-10-30-14-37-22/h1-2,7-8,10,14,17-18,36H,3-6,11-13H2,(H,31,32)(H,33,35)/t18-,24- | KEGG
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163336
(US9062048, 28)Show SMILES OC1(CC=CC1)[C@H]1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.6,c:3,(-7.86,-1.08,;-7.86,-2.62,;-7.86,-4.16,;-9.33,-4.63,;-10.23,-3.39,;-9.33,-2.14,;-6.53,-1.85,;-6.53,-.31,;-5.2,.46,;-3.86,-.31,;-3.86,-1.85,;-5.2,-2.62,;-2.53,.46,;-2.13,1.95,;-.64,1.55,;-1.04,.06,;.69,2.32,;2.02,1.55,;2.02,.01,;3.36,2.32,;4.69,1.55,;6.03,2.32,;6.03,3.86,;7.36,4.63,;8.69,3.86,;8.69,2.32,;10.03,1.55,;10.03,.01,;8.69,-.76,;7.36,.01,;7.36,1.55,;8.69,-2.3,;8.69,-3.84,;7.15,-2.3,;10.23,-2.3,)| Show InChI InChI=1S/C25H30F3N5O2/c26-25(27,28)17-5-8-21-20(11-17)23(31-15-30-21)29-12-22(34)32-18-13-33(14-18)19-6-3-16(4-7-19)24(35)9-1-2-10-24/h1-2,5,8,11,15-16,18-19,35H,3-4,6-7,9-10,12-14H2,(H,32,34)(H,29,30,31)/t16-,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163602
(US9062048, (+) 4 | US9062048, (+) 6 | US9062048, (...)Show SMILES OC(C1CC1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(9.34,-18.35,;8,-17.58,;6.67,-18.35,;5.9,-19.68,;5.13,-18.35,;8,-16.04,;9.34,-15.27,;9.34,-13.73,;8,-12.96,;6.67,-13.73,;6.67,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,)| Show InChI InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(9-16)23(30-13-29-20)28-10-21(33)31-17-11-32(12-17)18-6-3-15(4-7-18)22(34)14-1-2-14/h5,8-9,13-15,17-18,22,34H,1-4,6-7,10-12H2,(H,31,33)(H,28,29,30) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163465
(US9062048, 94)Show SMILES OC(C1CCCC1)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:10.14,7.7,(-9.61,.26,;-8.28,-.51,;-8.28,-2.05,;-9.52,-2.96,;-9.05,-4.42,;-7.51,-4.42,;-7.03,-2.96,;-6.94,.26,;-6.94,1.8,;-5.61,2.57,;-4.28,1.8,;-4.28,.26,;-5.61,-.51,;-2.94,2.57,;-2.55,4.05,;-1.06,3.65,;-1.46,2.17,;.28,4.42,;1.61,3.65,;2.94,4.42,;1.61,2.11,;2.94,1.34,;2.94,-.2,;1.61,-.97,;1.61,-2.51,;2.94,-3.28,;4.28,-2.51,;5.61,-3.28,;6.94,-2.51,;6.94,-.97,;5.61,-.2,;4.28,-.97,;8.28,-.2,;9.61,.57,;9.05,-1.53,;7.51,1.14,)| Show InChI InChI=1S/C26H34F3N5O2/c27-26(28,29)18-7-10-22-21(11-18)25(32-15-31-22)30-12-23(35)33-19-13-34(14-19)20-8-5-17(6-9-20)24(36)16-3-1-2-4-16/h7,10-11,15-17,19-20,24,36H,1-6,8-9,12-14H2,(H,33,35)(H,30,31,32)/t17-,20+,24? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM60422
(US9062048, 84)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1nccs1 |r,wU:4.7,1.33,wD:1.0,(-7.34,4.36,;-6.57,3.03,;-5.24,2.26,;-3.9,3.03,;-3.9,4.57,;-5.24,5.34,;-6.57,4.57,;-2.57,5.34,;-1.8,6.67,;-.47,5.9,;-1.24,4.57,;.87,6.67,;2.2,5.9,;2.2,4.36,;3.54,6.67,;4.85,5.9,;6.19,6.67,;6.19,8.21,;7.52,8.98,;8.86,8.21,;8.86,6.67,;10.19,5.9,;10.19,4.36,;8.86,3.59,;7.52,4.36,;7.52,5.9,;8.86,2.05,;8.86,.51,;7.32,2.05,;10.4,2.05,;-7.9,2.26,;-8.38,.79,;-9.92,.79,;-10.4,2.26,;-9.15,3.16,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(9-14)20(30-13-29-18)28-10-19(33)31-15-11-32(12-15)16-3-5-22(34,6-4-16)21-27-7-8-35-21/h1-2,7-9,13,15-16,34H,3-6,10-12H2,(H,31,33)(H,28,29,30)/t16-,22- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163602
(US9062048, (+) 4 | US9062048, (+) 6 | US9062048, (...)Show SMILES OC(C1CC1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(9.34,-18.35,;8,-17.58,;6.67,-18.35,;5.9,-19.68,;5.13,-18.35,;8,-16.04,;9.34,-15.27,;9.34,-13.73,;8,-12.96,;6.67,-13.73,;6.67,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,)| Show InChI InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(9-16)23(30-13-29-20)28-10-21(33)31-17-11-32(12-17)18-6-3-15(4-7-18)22(34)14-1-2-14/h5,8-9,13-15,17-18,22,34H,1-4,6-7,10-12H2,(H,31,33)(H,28,29,30) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163451
(US9062048, 79)Show SMILES Cc1ncc(s1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-10.64,.46,;-9.31,1.23,;-9.31,2.77,;-7.84,3.25,;-6.94,2,;-7.84,.75,;-5.4,2,;-6.17,3.33,;-4.63,.67,;-3.09,.67,;-2.32,2,;-3.09,3.33,;-4.63,3.33,;-.78,2,;.31,.91,;1.4,2,;.31,3.09,;2.94,2,;3.71,.67,;2.94,-.67,;5.25,.67,;6.02,2,;7.56,2,;8.33,3.33,;9.87,3.33,;10.64,2,;9.87,.67,;10.64,-.67,;9.87,-2,;8.33,-2,;7.56,-.67,;8.33,.67,;7.56,-3.33,;6.79,-4.67,;6.02,-3.33,;8.33,-4.67,)| Show InChI InChI=1S/C24H27F3N6O2S/c1-14-28-9-20(36-14)23(35)6-4-17(5-7-23)33-11-16(12-33)32-21(34)10-29-22-18-8-15(24(25,26)27)2-3-19(18)30-13-31-22/h2-3,8-9,13,16-17,35H,4-7,10-12H2,1H3,(H,32,34)(H,29,30,31) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163466
(US9062048, 95)Show SMILES OC(C#C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.10,4.3,(-9.61,-.16,;-8.28,-.93,;-8.28,-2.47,;-8.28,-4.01,;-6.94,-.16,;-6.94,1.38,;-5.61,2.15,;-4.28,1.38,;-4.28,-.16,;-5.61,-.93,;-2.94,2.15,;-2.55,3.64,;-1.06,3.24,;-1.46,1.75,;.28,4.01,;1.61,3.24,;2.94,4.01,;1.61,1.7,;2.94,.93,;2.94,-.61,;1.61,-1.38,;1.61,-2.92,;2.94,-3.69,;4.28,-2.92,;5.61,-3.69,;6.94,-2.92,;6.94,-1.38,;5.61,-.61,;4.28,-1.38,;8.28,-.61,;9.61,.16,;9.05,-1.94,;7.51,.72,)| Show InChI InChI=1S/C23H26F3N5O2/c1-2-20(32)14-3-6-17(7-4-14)31-11-16(12-31)30-21(33)10-27-22-18-9-15(23(24,25)26)5-8-19(18)28-13-29-22/h1,5,8-9,13-14,16-17,20,32H,3-4,6-7,10-12H2,(H,30,33)(H,27,28,29)/t14-,17+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163318
(US9062048, 24)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F)c1nccs1 |r,wU:4.7,wD:1.0,(-7.84,-2.6,;-6.5,-3.37,;-5.17,-4.14,;-3.83,-3.37,;-3.83,-1.83,;-5.17,-1.06,;-6.5,-1.83,;-2.5,-1.06,;-1.01,-1.46,;-.61,.03,;-2.1,.43,;.72,.8,;2.05,.03,;2.05,-1.51,;3.39,.8,;4.72,.03,;6.05,.8,;6.05,2.34,;7.39,3.16,;8.72,2.34,;8.72,.8,;10.05,.03,;10.05,-1.51,;8.72,-2.28,;7.39,-1.51,;7.39,.03,;8.72,-3.82,;8.72,-5.36,;7.18,-3.82,;10.26,-3.82,;7.39,4.7,;7.39,6.24,;5.85,4.7,;8.93,4.7,;-7.84,-4.14,;-9.4,-3.63,;-10.36,-4.96,;-9.4,-6.29,;-7.84,-5.78,)| Show InChI InChI=1S/C25H25F6N5O2S/c26-24(27,28)14-1-2-18-17(9-14)19(10-20(35-18)25(29,30)31)33-11-21(37)34-15-12-36(13-15)16-3-5-23(38,6-4-16)22-32-7-8-39-22/h1-2,7-10,15-16,38H,3-6,11-13H2,(H,33,35)(H,34,37)/t16-,23- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163471
(US9062048, 100)Show SMILES CCC(OC(C)=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:10.13,7.6,(-8.95,-3.4,;-7.61,-2.63,;-7.61,-1.09,;-8.95,-.32,;-8.95,1.22,;-10.28,1.99,;-7.61,1.99,;-6.28,-.32,;-6.28,1.22,;-4.94,1.99,;-3.61,1.22,;-3.61,-.32,;-4.94,-1.09,;-2.28,1.99,;-.79,1.59,;-.39,3.08,;-1.88,3.48,;.94,3.85,;2.28,3.08,;3.61,3.85,;2.28,1.54,;3.61,.77,;3.61,-.77,;2.28,-1.54,;2.28,-3.08,;3.61,-3.85,;4.94,-3.08,;6.28,-3.85,;7.61,-3.08,;7.61,-1.54,;6.28,-.77,;4.94,-1.54,;8.95,-.77,;10.28,,;9.72,-2.1,;8.18,.56,)| Show InChI InChI=1S/C25H32F3N5O3/c1-3-22(36-15(2)34)16-4-7-19(8-5-16)33-12-18(13-33)32-23(35)11-29-24-20-10-17(25(26,27)28)6-9-21(20)30-14-31-24/h6,9-10,14,16,18-19,22H,3-5,7-8,11-13H2,1-2H3,(H,32,35)(H,29,30,31)/t16-,19+,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163339
(US9062048, 29)Show SMILES CC(C)(O)[C@H]1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:4.3,(-8.38,-4.39,;-8.38,-2.85,;-9.72,-2.08,;-8.38,-1.31,;-7.05,-2.08,;-7.05,-.54,;-5.71,.23,;-4.38,-.54,;-4.38,-2.08,;-5.71,-2.85,;-3.05,.23,;-2.65,1.71,;-1.16,1.31,;-1.56,-.17,;.17,2.08,;1.51,1.31,;1.51,-.23,;2.84,2.08,;4.17,1.31,;5.51,2.08,;5.51,3.62,;6.84,4.39,;8.18,3.62,;8.18,2.08,;9.51,1.31,;9.51,-.23,;8.18,-1,;6.84,-.23,;6.84,1.31,;8.18,-2.54,;8.18,-4.08,;6.64,-2.54,;9.72,-2.54,)| Show InChI InChI=1S/C23H30F3N5O2/c1-22(2,33)14-3-6-17(7-4-14)31-11-16(12-31)30-20(32)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17,33H,3-4,6-7,10-12H2,1-2H3,(H,30,32)(H,27,28,29)/t14-,17? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163294
(US9062048, 16)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3COC(=O)N3)c2c1 |r,wU:24.28,21.21,(6.02,4.1,;7.56,4.1,;8.33,5.44,;6.79,5.44,;8.33,2.77,;9.87,2.77,;10.64,1.44,;9.87,.1,;10.64,-1.23,;9.87,-2.56,;8.33,-2.56,;7.56,-1.23,;6.02,-1.23,;5.25,-2.56,;3.71,-2.56,;2.94,-1.23,;2.94,-3.9,;1.4,-3.9,;.31,-4.99,;-.78,-3.9,;.31,-2.81,;-2.32,-3.9,;-3.09,-2.56,;-4.63,-2.56,;-5.4,-3.9,;-4.63,-5.23,;-3.09,-5.23,;-6.94,-3.9,;-7.84,-2.65,;-9.31,-3.13,;-9.31,-4.67,;-10.64,-5.44,;-7.84,-5.14,;8.33,.1,;7.56,1.44,)| Show InChI InChI=1S/C23H27F3N6O3/c24-23(25,26)14-3-6-18-17(7-14)21(29-12-28-18)27-8-20(33)30-15-9-32(10-15)16-4-1-13(2-5-16)19-11-35-22(34)31-19/h3,6-7,12-13,15-16,19H,1-2,4-5,8-11H2,(H,30,33)(H,31,34)(H,27,28,29)/t13-,16+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163589
(US9062048, 169)Show SMILES CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-9.94,-4,;-8.4,-4,;-7.63,-5.33,;-7.63,-2.67,;-8.4,-1.33,;-6.09,-2.67,;-5.32,-1.33,;-3.78,-1.33,;-3.01,-2.67,;-3.78,-4,;-5.32,-4,;-1.47,-2.67,;-.38,-3.76,;.7,-2.67,;-.38,-1.58,;2.24,-2.67,;3.01,-1.33,;2.24,,;4.55,-1.33,;5.32,,;6.86,,;7.63,-1.33,;9.17,-1.33,;9.94,,;9.17,1.33,;9.94,2.67,;9.17,4,;7.63,4,;6.86,2.67,;7.63,1.33,;6.86,5.33,;6.09,6.67,;5.38,4.94,;7.63,6.67,)| Show InChI InChI=1S/C25H33F3N4O2/c1-15(2)23(34)17-4-7-20(8-5-17)32-13-19(14-32)31-22(33)12-30-24-21-11-18(25(26,27)28)6-3-16(21)9-10-29-24/h3,6,9-11,15,17,19-20,23,34H,4-5,7-8,12-14H2,1-2H3,(H,29,30)(H,31,33)/t17-,20+,23? | KEGG
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| US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163394
(US9062048, 51)Show SMILES CCCN(C=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.5,9.12,(10.33,2.67,;9.56,1.33,;8.02,1.33,;7.25,,;8.02,-1.33,;7.25,-2.67,;5.71,,;4.94,-1.33,;3.4,-1.33,;2.63,,;3.4,1.33,;4.94,1.33,;1.09,,;,1.09,;-1.09,,;,-1.09,;-2.63,,;-3.4,1.33,;-2.63,2.67,;-4.94,1.33,;-5.71,2.67,;-7.25,2.67,;-8.02,4,;-9.56,4,;-10.33,2.67,;-9.56,1.33,;-10.33,,;-9.56,-1.33,;-8.02,-1.33,;-7.25,,;-8.02,1.33,;-7.25,-2.67,;-8.58,-3.44,;-5.92,-1.9,;-6.48,-4,)| Show InChI InChI=1S/C24H31F3N6O2/c1-2-9-32(15-34)18-4-6-19(7-5-18)33-12-17(13-33)31-22(35)11-28-23-20-10-16(24(25,26)27)3-8-21(20)29-14-30-23/h3,8,10,14-15,17-19H,2,4-7,9,11-13H2,1H3,(H,31,35)(H,28,29,30)/t18-,19+ | KEGG
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163485
(US9062048, 111)Show SMILES CC(=O)NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-10.28,-2.08,;-8.95,-2.85,;-8.95,-4.39,;-7.61,-2.08,;-7.61,-.54,;-6.28,.23,;-6.28,1.77,;-4.94,2.54,;-3.61,1.77,;-3.61,.23,;-4.94,-.54,;-2.28,2.54,;-.79,2.14,;-.39,3.62,;-1.88,4.02,;.94,4.39,;2.28,3.62,;3.61,4.39,;2.28,2.08,;3.61,1.31,;3.61,-.23,;2.28,-1,;2.28,-2.54,;3.61,-3.31,;4.94,-2.54,;6.28,-3.31,;7.61,-2.54,;7.61,-1,;6.28,-.23,;4.94,-1,;8.95,-.23,;10.28,.54,;9.72,-1.56,;8.18,1.11,)| Show InChI InChI=1S/C23H29F3N6O2/c1-14(33)27-9-15-2-5-18(6-3-15)32-11-17(12-32)31-21(34)10-28-22-19-8-16(23(24,25)26)4-7-20(19)29-13-30-22/h4,7-8,13,15,17-18H,2-3,5-6,9-12H2,1H3,(H,27,33)(H,31,34)(H,28,29,30)/t15-,18+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163458
(US9062048, 87)Show SMILES O[C@]1(CCC(CC1)N1CC(C1)NC(=O)CNc1nc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F)c1cncs1 |r,wD:1.0,(-7.2,1.01,;-6.43,-.32,;-5.09,-1.09,;-3.76,-.32,;-3.76,1.22,;-5.09,1.99,;-6.43,1.22,;-2.43,1.99,;-2.03,3.48,;-.54,3.08,;-.94,1.59,;.79,3.85,;2.13,3.08,;3.46,3.85,;2.13,1.54,;3.46,.77,;3.46,-.77,;2.13,-1.54,;2.13,-3.08,;3.46,-3.85,;4.8,-3.08,;6.13,-3.85,;7.46,-3.08,;7.46,-1.54,;6.13,-.77,;4.8,-1.54,;8.8,-.77,;10.13,,;9.57,-2.1,;8.03,.56,;.79,-3.85,;-.54,-4.62,;-.54,-3.08,;.79,-5.39,;-7.76,-1.09,;-9.22,-.61,;-10.13,-1.86,;-9.22,-3.1,;-7.76,-2.63,)| Show InChI InChI=1S/C24H24F6N6O2S/c25-23(26,27)13-1-2-17-16(7-13)20(35-21(34-17)24(28,29)30)32-9-19(37)33-14-10-36(11-14)15-3-5-22(38,6-4-15)18-8-31-12-39-18/h1-2,7-8,12,14-15,38H,3-6,9-11H2,(H,33,37)(H,32,34,35)/t15?,22- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163430
(US9062048, 63)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CN(C(=O)OCc1ccccc1)c1nccc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(-7.09,5.7,;-7.09,4.16,;-7.09,2.62,;-5.76,1.85,;-4.43,2.62,;-4.43,4.16,;-5.76,4.93,;-3.09,1.85,;-2.69,.36,;-1.21,.76,;-1.6,2.25,;.13,-.01,;1.46,.76,;1.46,2.3,;2.79,-.01,;4.13,.76,;5.46,-.01,;6.8,.76,;5.46,-1.55,;6.8,-2.32,;6.8,-3.86,;5.46,-4.63,;5.46,-6.17,;6.8,-6.94,;8.13,-6.17,;8.13,-4.63,;4.13,2.3,;2.79,3.07,;2.79,4.61,;4.13,5.38,;5.46,4.61,;6.8,5.38,;8.13,4.61,;8.13,3.07,;6.8,2.3,;5.46,3.07,;9.46,2.3,;10.8,3.07,;9.46,.76,;10.8,1.53,;-8.43,4.93,;-8.43,6.47,;-9.89,6.94,;-10.8,5.7,;-9.89,4.45,)| Show InChI InChI=1S/C32H32F3N5O4S/c33-32(34,35)23-7-6-22-10-13-37-29(26(22)14-23)40(30(42)44-19-21-4-2-1-3-5-21)18-28(41)38-24-16-39(17-24)25-8-11-31(43,12-9-25)27-15-36-20-45-27/h1-7,10,13-15,20,24-25,43H,8-9,11-12,16-19H2,(H,38,41)/t25-,31- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163411
(US9062048, 60)Show SMILES FC(F)(F)c1ccc2nc(cc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1)C#N |r,wU:24.28,21.21,(10.27,-1.16,;8.94,-.39,;8.94,1.16,;10.29,.4,;7.6,-1.16,;7.6,-2.69,;6.27,-3.47,;4.93,-2.69,;3.6,-3.47,;2.27,-2.69,;2.27,-1.16,;3.6,-.39,;3.6,1.16,;2.27,1.92,;2.27,3.47,;3.6,4.23,;.93,4.23,;-.4,3.47,;-.8,1.98,;-2.29,2.38,;-1.89,3.86,;-3.62,1.61,;-3.62,.07,;-4.95,-.7,;-6.29,.07,;-6.29,1.61,;-4.95,2.38,;-7.62,-.7,;-7.62,-2.24,;-8.95,-3.01,;-10.29,-2.24,;-10.29,-.7,;-8.95,.07,;-8.95,1.61,;4.93,-1.16,;6.27,-.39,;.93,-3.47,;-.4,-4.23,)| Show InChI InChI=1S/C27H27F3N6O2/c28-27(29,30)17-4-9-23-22(11-17)24(12-18(13-31)33-23)32-14-25(37)34-19-15-35(16-19)20-5-7-21(8-6-20)36-10-2-1-3-26(36)38/h1-4,9-12,19-21H,5-8,14-16H2,(H,32,33)(H,34,37)/t20-,21+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM50425703
(CHEMBL2315924 | US9062048, 85)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(28.33,-14.35,;29.11,-15.69,;29.92,-17,;31.46,-16.96,;32.19,-15.6,;31.37,-14.29,;29.84,-14.34,;33.73,-15.55,;34.78,-14.43,;35.91,-15.47,;34.85,-16.6,;37.45,-15.42,;38.26,-16.73,;37.54,-18.09,;39.8,-16.68,;40.61,-17.98,;42.15,-17.93,;42.96,-19.25,;44.51,-19.19,;45.23,-17.83,;44.42,-16.53,;45.14,-15.17,;44.33,-13.87,;42.79,-13.91,;42.06,-15.27,;42.87,-16.57,;41.98,-12.6,;42.7,-11.25,;40.44,-12.65,;41.19,-11.27,;27.57,-15.74,;26.71,-17.03,;25.23,-16.6,;25.17,-15.06,;26.62,-14.54,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(7-14)21(30-12-29-18)28-9-20(33)31-15-10-32(11-15)16-3-5-22(34,6-4-16)19-8-27-13-35-19/h1-2,7-8,12-13,15-16,34H,3-6,9-11H2,(H,31,33)(H,28,29,30)/t16-,22- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163511
(US9062048, 136)Show SMILES CCC(N)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:4.3,7.10,(-10.4,2.85,;-9.06,2.08,;-7.73,2.85,;-7.73,4.39,;-6.4,2.08,;-5.06,2.85,;-3.73,2.08,;-3.73,.54,;-5.06,-.23,;-6.4,.54,;-2.39,-.23,;-2,-1.71,;-.51,-1.31,;-.91,.17,;.83,-2.08,;2.16,-1.31,;2.16,.23,;3.49,-2.08,;4.83,-1.31,;6.16,-2.08,;6.16,-3.62,;7.49,-4.39,;8.83,-3.62,;8.83,-2.08,;10.16,-1.31,;10.16,.23,;8.83,1,;7.49,.23,;7.49,-1.31,;8.83,2.54,;8.83,4.08,;10.37,2.54,;7.29,2.54,)| Show InChI InChI=1S/C23H31F3N6O/c1-2-19(27)14-3-6-17(7-4-14)32-11-16(12-32)31-21(33)10-28-22-18-9-15(23(24,25)26)5-8-20(18)29-13-30-22/h5,8-9,13-14,16-17,19H,2-4,6-7,10-12,27H2,1H3,(H,31,33)(H,28,29,30)/t14-,17+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163606
(US9062048, (+) 8 | US9062048, (-) 8)Show SMILES CC(C)C(O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(6.67,-19.89,;6.67,-18.35,;5.33,-17.58,;8,-17.58,;9.34,-18.35,;8,-16.04,;9.34,-15.27,;9.34,-13.73,;8,-12.96,;6.67,-13.73,;6.67,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-6-18(7-4-15)32-11-17(12-32)31-21(33)10-28-23-19-9-16(24(25,26)27)5-8-20(19)29-13-30-23/h5,8-9,13-15,17-18,22,34H,3-4,6-7,10-12H2,1-2H3,(H,31,33)(H,28,29,30) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163588
(US9062048, 167 | US9062048, 168)Show SMILES CCC(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F |r,wU:4.3,wD:7.10,(-9.57,-9.8,;-8.03,-9.8,;-7.26,-8.46,;-8.03,-7.13,;-5.72,-8.46,;-4.95,-7.13,;-3.41,-7.13,;-2.64,-8.46,;-3.41,-9.8,;-4.95,-9.8,;-1.1,-8.46,;-.01,-9.55,;1.08,-8.46,;-.01,-7.38,;2.62,-8.46,;3.39,-7.13,;2.62,-5.8,;4.93,-7.13,;5.7,-5.8,;7.24,-5.8,;8.01,-7.13,;9.55,-7.13,;10.32,-5.8,;9.55,-4.46,;10.32,-3.13,;9.55,-1.8,;8.01,-1.8,;7.24,-3.13,;8.01,-4.46,;7.24,-.46,;6.47,.87,;5.75,-.86,;8.01,.87,)| Show InChI InChI=1S/C24H31F3N4O2/c1-2-21(32)16-4-7-19(8-5-16)31-13-18(14-31)30-22(33)12-29-23-20-11-17(24(25,26)27)6-3-15(20)9-10-28-23/h3,6,9-11,16,18-19,21,32H,2,4-5,7-8,12-14H2,1H3,(H,28,29)(H,30,33)/t16-,19-,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163289
(US9062048, 15)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCO3)c2c1 |r,wU:24.28,21.21,(1.46,8.87,;2.79,8.1,;2.79,9.64,;1.46,7.33,;4.13,7.33,;5.46,8.1,;6.8,7.33,;6.8,5.79,;8.13,5.02,;8.13,3.48,;6.8,2.71,;5.46,3.48,;4.13,2.71,;4.13,1.17,;2.79,.4,;1.46,1.17,;2.79,-1.14,;1.46,-1.91,;1.06,-3.4,;-.43,-3,;-.03,-1.51,;-1.76,-3.77,;-3.09,-3,;-4.43,-3.77,;-4.43,-5.31,;-3.09,-6.08,;-1.76,-5.31,;-5.76,-6.08,;-5.76,-7.62,;-7.22,-8.1,;-8.13,-6.85,;-7.22,-5.61,;5.46,5.02,;4.13,5.79,)| Show InChI InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(10-16)23(30-14-29-20)28-11-22(33)31-17-12-32(13-17)18-6-3-15(4-7-18)21-2-1-9-34-21/h5,8,10,14-15,17-18,21H,1-4,6-7,9,11-13H2,(H,31,33)(H,28,29,30)/t15-,18+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM50425712
(CHEMBL2315939 | US9062048, 82)Show SMILES O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F)c1cncs1 |r,wU:4.7,wD:1.0,(4.75,-17.97,;5.53,-19.31,;6.34,-20.62,;7.88,-20.58,;8.61,-19.22,;7.79,-17.91,;6.26,-17.96,;10.15,-19.17,;11.2,-18.05,;12.33,-19.09,;11.27,-20.22,;13.87,-19.04,;14.68,-20.35,;13.95,-21.71,;16.22,-20.3,;17.03,-21.6,;18.57,-21.55,;19.38,-22.87,;20.93,-22.81,;21.65,-21.45,;20.84,-20.14,;21.56,-18.79,;20.75,-17.48,;19.21,-17.53,;18.48,-18.89,;19.29,-20.19,;18.4,-16.22,;19.12,-14.87,;16.86,-16.27,;17.61,-14.89,;21.75,-24.11,;21.03,-25.47,;23.29,-24.06,;22.51,-25.44,;3.99,-19.36,;3.13,-20.65,;1.65,-20.22,;1.59,-18.68,;3.04,-18.16,)| Show InChI InChI=1S/C25H25F6N5O2S/c26-24(27,28)14-1-2-18-17(7-14)19(8-20(35-18)25(29,30)31)33-10-22(37)34-15-11-36(12-15)16-3-5-23(38,6-4-16)21-9-32-13-39-21/h1-2,7-9,13,15-16,38H,3-6,10-12H2,(H,33,35)(H,34,37)/t16-,23- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163446
(US9062048, 73)Show SMILES OCc1ccccc1C1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.15,(-5.71,-.67,;-7.25,-.67,;-8.02,.67,;-9.56,.67,;-10.33,2,;-9.56,3.33,;-8.02,3.33,;-7.25,2,;-5.71,2,;-4.94,.67,;-3.4,.67,;-2.63,2,;-3.4,3.33,;-4.94,3.33,;-1.09,2,;,.91,;1.09,2,;,3.09,;2.63,2,;3.4,.67,;2.63,-.67,;4.94,.67,;5.71,2,;7.25,2,;8.02,3.33,;9.56,3.33,;10.33,2,;9.56,.67,;10.33,-.67,;9.56,-2,;8.02,-2,;7.25,-.67,;8.02,.67,;7.25,-3.33,;6.48,-4.67,;5.71,-3.33,;8.02,-4.67,)| Show InChI InChI=1S/C27H30F3N5O2/c28-27(29,30)19-7-10-24-23(11-19)26(33-16-32-24)31-12-25(37)34-20-13-35(14-20)21-8-5-17(6-9-21)22-4-2-1-3-18(22)15-36/h1-4,7,10-11,16-17,20-21,36H,5-6,8-9,12-15H2,(H,34,37)(H,31,32,33)/t17?,21- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163450
(US9062048, 77)Show SMILES COc1cccc(n1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.1,-.67,;-9.56,-.67,;-8.79,.67,;-9.56,2,;-8.79,3.33,;-7.25,3.33,;-6.48,2,;-7.25,.67,;-4.94,2,;-5.71,3.33,;-4.17,.67,;-2.63,.67,;-1.86,2,;-2.63,3.33,;-4.17,3.33,;-.32,2,;.77,.91,;1.86,2,;.77,3.09,;3.4,2,;4.17,.67,;3.4,-.67,;5.71,.67,;6.48,2,;8.02,2,;8.79,3.33,;10.33,3.33,;11.1,2,;10.33,.67,;11.1,-.67,;10.33,-2,;8.79,-2,;8.02,-.67,;8.79,.67,;8.02,-3.33,;7.25,-4.67,;6.48,-3.33,;8.79,-4.67,)| Show InChI InChI=1S/C26H29F3N6O3/c1-38-23-4-2-3-21(34-23)25(37)9-7-18(8-10-25)35-13-17(14-35)33-22(36)12-30-24-19-11-16(26(27,28)29)5-6-20(19)31-15-32-24/h2-6,11,15,17-18,37H,7-10,12-14H2,1H3,(H,33,36)(H,30,31,32) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163299
(US9062048, 17)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCOC(=O)N3)c2c1 |r,wU:24.28,21.21,(8.02,6,;7.25,4.67,;5.71,4.67,;6.48,6,;8.02,3.33,;9.56,3.33,;10.33,2,;9.56,.67,;10.33,-.67,;9.56,-2,;8.02,-2,;7.25,-.67,;5.71,-.67,;4.94,-2,;3.4,-2,;2.63,-.67,;2.63,-3.33,;1.09,-3.33,;,-4.42,;-1.09,-3.33,;,-2.25,;-2.63,-3.33,;-3.4,-2,;-4.94,-2,;-5.71,-3.33,;-4.94,-4.67,;-3.4,-4.67,;-7.25,-3.33,;-8.02,-2,;-9.56,-2,;-10.33,-3.33,;-9.56,-4.67,;-10.33,-6,;-8.02,-4.67,;8.02,.67,;7.25,2,)| Show InChI InChI=1S/C24H29F3N6O3/c25-24(26,27)15-3-6-20-18(9-15)22(30-13-29-20)28-10-21(34)31-16-11-33(12-16)17-4-1-14(2-5-17)19-7-8-36-23(35)32-19/h3,6,9,13-14,16-17,19H,1-2,4-5,7-8,10-12H2,(H,31,34)(H,32,35)(H,28,29,30)/t14-,17+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163309
(US9062048, 20)Show SMILES COCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-11.1,-2.08,;-9.77,-2.85,;-8.44,-2.08,;-7.1,-2.85,;-7.1,-4.39,;-5.77,-2.08,;-5.77,-.54,;-4.44,.23,;-3.1,-.54,;-3.1,-2.08,;-4.44,-2.85,;-1.77,.23,;-.28,-.17,;.12,1.31,;-1.37,1.71,;1.45,2.08,;2.79,1.31,;2.79,-.23,;4.12,2.08,;5.45,1.31,;6.79,2.08,;6.79,3.62,;8.12,4.39,;9.45,3.62,;9.45,2.08,;10.79,1.31,;10.79,-.23,;9.45,-1,;8.12,-.23,;8.12,1.31,;9.45,-2.54,;9.45,-4.08,;7.91,-2.54,;10.99,-2.54,)| Show InChI InChI=1S/C23H30F3N5O3/c1-34-12-20(32)14-2-5-17(6-3-14)31-10-16(11-31)30-21(33)9-27-22-18-8-15(23(24,25)26)4-7-19(18)28-13-29-22/h4,7-8,13-14,16-17,20,32H,2-3,5-6,9-12H2,1H3,(H,30,33)(H,27,28,29)/t14-,17+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163483
(US9062048, 109)Show SMILES OC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:5.8,2.1,(-8.95,-2.63,;-8.95,-1.09,;-7.61,-.32,;-7.61,1.22,;-6.28,1.99,;-4.94,1.22,;-4.94,-.32,;-6.28,-1.09,;-3.61,1.99,;-2.12,1.59,;-1.72,3.08,;-3.21,3.48,;-.39,3.85,;.94,3.08,;2.28,3.85,;.94,1.54,;2.28,.77,;2.28,-.77,;.94,-1.54,;.94,-3.08,;2.28,-3.85,;3.61,-3.08,;4.94,-3.85,;6.28,-3.08,;6.28,-1.54,;4.94,-.77,;3.61,-1.54,;7.61,-.77,;8.95,,;8.38,-2.1,;6.84,.56,)| Show InChI InChI=1S/C21H26F3N5O2/c22-21(23,24)14-3-6-18-17(7-14)20(27-12-26-18)25-8-19(31)28-15-9-29(10-15)16-4-1-13(11-30)2-5-16/h3,6-7,12-13,15-16,30H,1-2,4-5,8-11H2,(H,28,31)(H,25,26,27)/t13-,16+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163472
(US9062048, 101)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCCCC3)c2c1 Show InChI InChI=1S/C20H24F3N5O/c21-20(22,23)13-6-7-17-16(8-13)19(26-12-25-17)24-9-18(29)27-14-10-28(11-14)15-4-2-1-3-5-15/h6-8,12,14-15H,1-5,9-11H2,(H,27,29)(H,24,25,26) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163312
(US9062048, 22)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CNC(=O)O3)c2c1 |r,wU:24.28,21.21,(8.64,-3.17,;8.64,-1.63,;7.1,-1.63,;10.18,-1.63,;8.64,-.09,;9.97,.68,;9.97,2.22,;8.64,2.99,;8.64,4.53,;7.3,5.3,;5.97,4.53,;5.97,2.99,;4.64,2.22,;3.3,2.99,;1.97,2.22,;1.97,.68,;.64,2.99,;-.7,2.22,;-1.1,.73,;-2.58,1.13,;-2.18,2.62,;-3.92,.36,;-5.25,1.13,;-6.58,.36,;-6.58,-1.18,;-5.25,-1.95,;-3.92,-1.18,;-7.92,-1.95,;-9.38,-1.47,;-10.29,-2.72,;-9.38,-3.97,;-10.15,-5.3,;-7.92,-3.49,;7.3,2.22,;7.3,.68,)| Show InChI InChI=1S/C23H27F3N6O3/c24-23(25,26)14-3-6-18-17(7-14)21(30-12-29-18)27-9-20(33)31-15-10-32(11-15)16-4-1-13(2-5-16)19-8-28-22(34)35-19/h3,6-7,12-13,15-16,19H,1-2,4-5,8-11H2,(H,28,34)(H,31,33)(H,27,29,30)/t13-,16+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163395
(US9062048, 52)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)N3CCCCO3)c2c1 |r,wU:21.21,24.28,(10.28,-1.54,;8.95,-.77,;8.95,.77,;10.28,,;7.61,-1.54,;7.61,-3.08,;6.28,-3.85,;4.94,-3.08,;3.61,-3.85,;2.28,-3.08,;2.28,-1.54,;3.61,-.77,;3.61,.77,;2.28,1.54,;2.28,3.08,;3.61,3.85,;.94,3.85,;-.39,3.08,;-1.88,3.48,;-2.28,1.99,;-.79,1.59,;-3.61,1.22,;-3.61,-.32,;-4.94,-1.09,;-6.28,-.32,;-6.28,1.22,;-4.94,1.99,;-7.61,-1.09,;-7.61,-2.63,;-8.95,-3.4,;-10.28,-2.63,;-10.28,-1.09,;-8.95,-.32,;4.94,-1.54,;6.28,-.77,)| Show InChI InChI=1S/C24H31F3N6O2/c25-24(26,27)16-3-8-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-32(14-17)18-4-6-19(7-5-18)33-9-1-2-10-35-33/h3,8,11,15,17-19H,1-2,4-7,9-10,12-14H2,(H,31,34)(H,28,29,30)/t18-,19+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163484
(US9062048, 110)Show SMILES O[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:1.0,4.7,(-8.95,-1.09,;-7.61,-.32,;-7.61,1.22,;-6.28,1.99,;-4.94,1.22,;-4.94,-.32,;-6.28,-1.09,;-3.61,1.99,;-2.12,1.59,;-1.72,3.08,;-3.21,3.48,;-.39,3.85,;.94,3.08,;2.28,3.85,;.94,1.54,;2.28,.77,;2.28,-.77,;.94,-1.54,;.94,-3.08,;2.28,-3.85,;3.61,-3.08,;4.94,-3.85,;6.28,-3.08,;6.28,-1.54,;4.94,-.77,;3.61,-1.54,;7.61,-.77,;8.95,,;8.38,-2.1,;6.84,.56,)| Show InChI InChI=1S/C20H24F3N5O2/c21-20(22,23)12-1-6-17-16(7-12)19(26-11-25-17)24-8-18(30)27-13-9-28(10-13)14-2-4-15(29)5-3-14/h1,6-7,11,13-15,29H,2-5,8-10H2,(H,27,30)(H,24,25,26)/t14-,15+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163593
(US9062048, 170)Show SMILES CCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)C(F)(F)F |r,wU:4.3,7.10,(-9.94,-5.33,;-8.4,-5.33,;-7.63,-4,;-8.4,-2.67,;-6.09,-4,;-5.32,-2.67,;-3.78,-2.67,;-3.01,-4,;-3.78,-5.33,;-5.32,-5.33,;-1.47,-4,;-.38,-5.09,;.7,-4,;-.38,-2.91,;2.24,-4,;3.01,-2.67,;2.24,-1.33,;4.55,-2.67,;5.32,-1.33,;6.86,-1.33,;7.63,-2.67,;9.17,-2.67,;9.94,-1.33,;9.17,,;9.94,1.33,;9.17,2.67,;7.63,2.67,;6.86,1.33,;7.63,,;6.86,4,;7.63,5.33,;8.4,4,;5.32,4,;4.55,2.67,;4.55,5.33,;6.09,5.33,)| Show InChI InChI=1S/C25H31F5N4O2/c1-2-21(35)16-4-7-19(8-5-16)34-13-18(14-34)33-22(36)12-32-23-20-11-17(24(26,27)25(28,29)30)6-3-15(20)9-10-31-23/h3,6,9-11,16,18-19,21,35H,2,4-5,7-8,12-14H2,1H3,(H,31,32)(H,33,36)/t16-,19+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163507
(US9062048, 134)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)N3CCS(=O)(=O)CC3)c2c1 |r,wU:24.28,(10.97,,;9.63,-.77,;10.4,-2.1,;8.86,.56,;8.3,-1.54,;8.3,-3.08,;6.96,-3.85,;5.63,-3.08,;4.3,-3.85,;2.96,-3.08,;2.96,-1.54,;4.3,-.77,;4.3,.77,;2.96,1.54,;2.96,3.08,;4.3,3.85,;1.63,3.85,;.3,3.08,;-1.19,3.48,;-1.59,1.99,;-.1,1.59,;-2.92,1.22,;-4.26,1.99,;-5.59,1.22,;-5.59,-.32,;-4.26,-1.09,;-2.92,-.32,;-6.92,-1.09,;-8.26,-.32,;-9.59,-1.09,;-9.59,-2.63,;-11.13,-2.63,;-10.93,-3.4,;-8.26,-3.4,;-6.92,-2.63,;5.63,-1.54,;6.96,-.77,)| Show InChI InChI=1S/C24H31F3N6O3S/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-37(35,36)10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)/t18-,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163331
(US9062048, 26)Show SMILES O[C@]1(CCC(CC1)N1CC(C1)NC(=O)CNc1ccnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wD:1.0,(-7.86,-1.08,;-6.53,-1.85,;-5.2,-2.62,;-3.86,-1.85,;-3.86,-.31,;-5.2,.46,;-6.53,-.31,;-2.53,.46,;-2.13,1.95,;-.64,1.55,;-1.04,.06,;.69,2.32,;2.02,1.55,;2.02,.01,;3.36,2.32,;4.69,1.55,;6.03,2.32,;6.03,3.86,;7.36,4.63,;8.69,3.86,;8.69,2.32,;10.03,1.55,;10.03,.01,;8.69,-.76,;7.36,.01,;7.36,1.55,;8.69,-2.3,;8.69,-3.84,;7.15,-2.3,;10.23,-2.3,;-7.86,-2.62,;-9.33,-2.14,;-10.23,-3.39,;-9.33,-4.63,;-7.86,-4.16,)| Show InChI InChI=1S/C24H26F3N5O2S/c25-24(26,27)15-1-2-19-18(9-15)20(5-8-29-19)30-11-22(33)31-16-12-32(13-16)17-3-6-23(34,7-4-17)21-10-28-14-35-21/h1-2,5,8-10,14,16-17,34H,3-4,6-7,11-13H2,(H,29,30)(H,31,33)/t17?,23- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163354
(US9062048, 34)Show SMILES OC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(F)(F)F |r,wU:5.8,2.1,(-3.08,-9.52,;-1.75,-8.75,;-1.75,-7.21,;-3.08,-6.44,;-3.08,-4.9,;-1.75,-4.13,;-.42,-4.9,;-.42,-6.44,;-1.75,-2.59,;-2.84,-1.5,;-1.75,-.41,;-.66,-1.5,;-1.75,1.13,;-.42,1.9,;.92,1.13,;-.42,3.44,;.92,4.21,;.92,5.75,;-.42,6.52,;-.42,8.06,;.92,8.83,;2.25,8.06,;3.59,8.83,;4.92,8.06,;4.92,6.52,;3.59,5.75,;2.25,6.52,;6.25,5.75,;7.59,4.98,;7.02,7.08,;5.48,4.42,;-.42,-9.52,;.92,-10.29,;-1.19,-10.85,;.35,-8.18,)| Show InChI InChI=1S/C22H25F6N5O2/c23-21(24,25)13-3-6-17-16(7-13)20(31-11-30-17)29-8-18(34)32-14-9-33(10-14)15-4-1-12(2-5-15)19(35)22(26,27)28/h3,6-7,11-12,14-15,19,35H,1-2,4-5,8-10H2,(H,32,34)(H,29,30,31)/t12-,15+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163361
(US9062048, 36)Show SMILES CC(=C)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:3.2,6.9,(-8.38,-4.39,;-8.38,-2.85,;-9.72,-2.08,;-7.05,-2.08,;-5.71,-2.85,;-4.38,-2.08,;-4.38,-.54,;-5.71,.23,;-7.05,-.54,;-3.05,.23,;-1.56,-.17,;-1.16,1.31,;-2.65,1.71,;.17,2.08,;1.51,1.31,;1.51,-.23,;2.84,2.08,;4.17,1.31,;5.51,2.08,;5.51,3.62,;6.84,4.39,;8.18,3.62,;8.18,2.08,;9.51,1.31,;9.51,-.23,;8.18,-1,;6.84,-.23,;6.84,1.31,;8.18,-2.54,;8.18,-4.08,;6.64,-2.54,;9.72,-2.54,)| Show InChI InChI=1S/C23H28F3N5O/c1-14(2)15-3-6-18(7-4-15)31-11-17(12-31)30-21(32)10-27-22-19-9-16(23(24,25)26)5-8-20(19)28-13-29-22/h5,8-9,13,15,17-18H,1,3-4,6-7,10-12H2,2H3,(H,30,32)(H,27,28,29)/t15-,18+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163467
(US9062048, 96)Show SMILES CC(=C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-6.94,-3.4,;-8.28,-2.63,;-9.61,-3.4,;-8.28,-1.09,;-9.61,-.32,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-2.55,3.48,;-1.06,3.08,;-1.46,1.59,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C24H30F3N5O2/c1-14(2)22(34)15-3-6-18(7-4-15)32-11-17(12-32)31-21(33)10-28-23-19-9-16(24(25,26)27)5-8-20(19)29-13-30-23/h5,8-9,13,15,17-18,22,34H,1,3-4,6-7,10-12H2,2H3,(H,31,33)(H,28,29,30)/t15-,18+,22? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163372
(US9062048, 40)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(CC3)N3CCCC3=O)c2c1 |(9.17,-3.86,;8.08,-2.78,;6.59,-3.17,;7.68,-4.26,;8.48,-1.29,;9.97,-.89,;10.36,.6,;9.28,1.69,;9.67,3.17,;8.59,4.26,;7.1,3.86,;6.7,2.38,;5.21,1.98,;4.12,3.07,;2.64,2.67,;2.24,1.18,;1.55,3.76,;.06,3.36,;-.71,2.03,;-2.04,2.8,;-1.27,4.13,;-3.53,2.4,;-3.93,.91,;-5.42,.51,;-6.51,1.6,;-6.11,3.09,;-4.62,3.49,;-7.99,1.2,;-8.9,-.04,;-10.36,.43,;-10.36,1.97,;-8.9,2.45,;-8.13,3.78,;7.79,1.29,;7.39,-.2,)| Show InChI InChI=1S/C24H29F3N6O2/c25-24(26,27)15-3-8-20-19(10-15)23(30-14-29-20)28-11-21(34)31-16-12-32(13-16)17-4-6-18(7-5-17)33-9-1-2-22(33)35/h3,8,10,14,16-18H,1-2,4-7,9,11-13H2,(H,31,34)(H,28,29,30) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163486
(US9062048, 112)Show SMILES FC(F)(F)C(=O)NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.7,11.14,(-11.37,-1,;-10.28,-2.08,;-9.88,-.6,;-11.77,-2.48,;-8.95,-2.85,;-8.95,-4.39,;-7.61,-2.08,;-7.61,-.54,;-6.28,.23,;-6.28,1.77,;-4.94,2.54,;-3.61,1.77,;-3.61,.23,;-4.94,-.54,;-2.28,2.54,;-.79,2.14,;-.39,3.62,;-1.88,4.02,;.94,4.39,;2.28,3.62,;3.61,4.39,;2.28,2.08,;3.61,1.31,;3.61,-.23,;2.28,-1,;2.28,-2.54,;3.61,-3.31,;4.94,-2.54,;6.28,-3.31,;7.61,-2.54,;7.61,-1,;6.28,-.23,;4.94,-1,;8.95,-.23,;10.28,.54,;9.72,-1.56,;8.18,1.11,)| Show InChI InChI=1S/C23H26F6N6O2/c24-22(25,26)14-3-6-18-17(7-14)20(33-12-32-18)30-9-19(36)34-15-10-35(11-15)16-4-1-13(2-5-16)8-31-21(37)23(27,28)29/h3,6-7,12-13,15-16H,1-2,4-5,8-11H2,(H,31,37)(H,34,36)(H,30,32,33)/t13-,16+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163492
(US9062048, 119)Show SMILES CC1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-8.95,-1.09,;-7.61,-.32,;-7.61,1.22,;-6.28,1.99,;-4.94,1.22,;-4.94,-.32,;-6.28,-1.09,;-3.61,1.99,;-2.12,1.59,;-1.72,3.08,;-3.21,3.48,;-.39,3.85,;.94,3.08,;2.28,3.85,;.94,1.54,;2.28,.77,;2.28,-.77,;.94,-1.54,;.94,-3.08,;2.28,-3.85,;3.61,-3.08,;4.94,-3.85,;6.28,-3.08,;6.28,-1.54,;4.94,-.77,;3.61,-1.54,;7.61,-.77,;8.95,,;8.38,-2.1,;6.84,.56,)| Show InChI InChI=1S/C21H26F3N5O/c1-13-2-5-16(6-3-13)29-10-15(11-29)28-19(30)9-25-20-17-8-14(21(22,23)24)4-7-18(17)26-12-27-20/h4,7-8,12-13,15-16H,2-3,5-6,9-11H2,1H3,(H,28,30)(H,25,26,27) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163493
(US9062048, 120)Show SMILES CCC(OC)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-8.95,-3.4,;-7.61,-2.63,;-7.61,-1.09,;-8.95,-.32,;-10.28,-1.09,;-6.28,-.32,;-6.28,1.22,;-4.94,1.99,;-3.61,1.22,;-3.61,-.32,;-4.94,-1.09,;-2.28,1.99,;-.79,1.59,;-.39,3.08,;-1.88,3.48,;.94,3.85,;2.28,3.08,;3.61,3.85,;2.28,1.54,;3.61,.77,;3.61,-.77,;2.28,-1.54,;2.28,-3.08,;3.61,-3.85,;4.94,-3.08,;6.28,-3.85,;7.61,-3.08,;7.61,-1.54,;6.28,-.77,;4.94,-1.54,;8.95,-.77,;10.28,,;9.72,-2.1,;8.18,.56,)| Show InChI InChI=1S/C24H32F3N5O2/c1-3-21(34-2)15-4-7-18(8-5-15)32-12-17(13-32)31-22(33)11-28-23-19-10-16(24(25,26)27)6-9-20(19)29-14-30-23/h6,9-10,14-15,17-18,21H,3-5,7-8,11-13H2,1-2H3,(H,31,33)(H,28,29,30)/t15-,18+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM60423
(US9062048, 118)Show SMILES CC(C)C1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(C)(F)F |r,wU:6.9,(-8.38,.79,;-7.9,2.26,;-9.15,3.16,;-6.57,3.03,;-5.24,2.26,;-3.9,3.03,;-3.9,4.57,;-5.24,5.34,;-6.57,4.57,;-2.57,5.34,;-1.8,6.67,;-.47,5.9,;-1.24,4.57,;.87,6.67,;2.2,5.9,;2.2,4.36,;3.54,6.67,;4.85,5.9,;6.19,6.67,;6.19,8.21,;7.52,8.98,;8.86,8.21,;8.86,6.67,;10.19,5.9,;10.19,4.36,;8.86,3.59,;7.52,4.36,;7.52,5.9,;8.86,2.05,;7.32,2.05,;8.86,.51,;10.4,2.05,)| Show InChI InChI=1S/C24H33F2N5O/c1-15(2)16-4-7-19(8-5-16)31-12-18(13-31)30-22(32)11-27-23-20-10-17(24(3,25)26)6-9-21(20)28-14-29-23/h6,9-10,14-16,18-19H,4-5,7-8,11-13H2,1-3H3,(H,30,32)(H,27,28,29)/t16?,19- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163468
(US9062048, 97)Show SMILES CC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.9,3.2,(-8.28,-2.63,;-8.28,-1.09,;-9.61,-.32,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-2.55,3.48,;-1.06,3.08,;-1.46,1.59,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C22H28F3N5O2/c1-13(31)14-2-5-17(6-3-14)30-10-16(11-30)29-20(32)9-26-21-18-8-15(22(23,24)25)4-7-19(18)27-12-28-21/h4,7-8,12-14,16-17,31H,2-3,5-6,9-11H2,1H3,(H,29,32)(H,26,27,28)/t13?,14-,17+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163409
(US9062048, 58)Show SMILES FC(F)(F)c1ccc2nccc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1 |r,wU:24.28,21.21,(10.27,-1.54,;8.94,-.77,;8.94,.77,;10.29,.01,;7.6,-1.54,;7.6,-3.08,;6.27,-3.85,;4.93,-3.08,;3.6,-3.85,;2.27,-3.08,;2.27,-1.54,;3.6,-.77,;3.6,.77,;2.27,1.54,;2.27,3.08,;3.6,3.85,;.93,3.85,;-.4,3.08,;-.8,1.59,;-2.29,1.99,;-1.89,3.48,;-3.62,1.22,;-3.62,-.32,;-4.95,-1.09,;-6.29,-.32,;-6.29,1.22,;-4.95,1.99,;-7.62,-1.09,;-7.62,-2.63,;-8.95,-3.4,;-10.29,-2.63,;-10.29,-1.09,;-8.95,-.32,;-8.95,1.22,;4.93,-1.54,;6.27,-.77,)| Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)17-4-9-22-21(13-17)23(10-11-30-22)31-14-24(35)32-18-15-33(16-18)19-5-7-20(8-6-19)34-12-2-1-3-25(34)36/h1-4,9-13,18-20H,5-8,14-16H2,(H,30,31)(H,32,35)/t19-,20+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163499
(US9062048, 126)Show SMILES CON(C)C(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.03,-.32,;-9.69,-1.09,;-8.36,-.32,;-8.36,1.22,;-7.03,-1.09,;-7.03,-2.63,;-5.69,-.32,;-5.69,1.22,;-4.36,1.99,;-3.03,1.22,;-3.03,-.32,;-4.36,-1.09,;-1.69,1.99,;-1.29,3.48,;.19,3.08,;-.21,1.59,;1.53,3.85,;2.86,3.08,;4.19,3.85,;2.86,1.54,;4.19,.77,;4.19,-.77,;2.86,-1.54,;2.86,-3.08,;4.19,-3.85,;5.53,-3.08,;6.86,-3.85,;8.2,-3.08,;8.2,-1.54,;6.86,-.77,;5.53,-1.54,;9.53,-.77,;10.86,,;10.3,-2.1,;8.76,.56,)| Show InChI InChI=1S/C23H29F3N6O3/c1-31(35-2)22(34)14-3-6-17(7-4-14)32-11-16(12-32)30-20(33)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17H,3-4,6-7,10-12H2,1-2H3,(H,30,33)(H,27,28,29) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163494
(US9062048, 121)Show SMILES COCC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:4.3,7.10,(-9.61,-4.39,;-9.61,-2.85,;-8.28,-2.08,;-8.28,-.54,;-6.94,.23,;-6.94,1.77,;-5.61,2.54,;-4.28,1.77,;-4.28,.23,;-5.61,-.54,;-2.94,2.54,;-1.46,2.14,;-1.06,3.62,;-2.55,4.02,;.28,4.39,;1.61,3.62,;2.94,4.39,;1.61,2.08,;2.94,1.31,;2.94,-.23,;1.61,-1,;1.61,-2.54,;2.94,-3.31,;4.28,-2.54,;5.61,-3.31,;6.94,-2.54,;6.94,-1,;5.61,-.23,;4.28,-1,;8.28,-.23,;9.61,.54,;9.05,-1.56,;7.51,1.11,)| Show InChI InChI=1S/C23H30F3N5O2/c1-33-9-8-15-2-5-18(6-3-15)31-12-17(13-31)30-21(32)11-27-22-19-10-16(23(24,25)26)4-7-20(19)28-14-29-22/h4,7,10,14-15,17-18H,2-3,5-6,8-9,11-13H2,1H3,(H,30,32)(H,27,28,29)/t15-,18+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163321
(US9062048, 25)Show SMILES CCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F |r,wU:4.3,7.10,(-10.43,-4.45,;-9.1,-3.68,;-7.77,-4.45,;-7.77,-5.99,;-6.43,-3.68,;-6.43,-2.14,;-5.1,-1.37,;-3.76,-2.14,;-3.76,-3.68,;-5.1,-4.45,;-2.43,-1.37,;-.94,-1.76,;-.55,-.28,;-2.03,.12,;.79,.49,;2.12,-.28,;2.12,-1.82,;3.46,.49,;4.79,-.28,;6.12,.49,;6.12,2.03,;7.46,2.86,;8.79,2.03,;8.79,.49,;10.12,-.28,;10.12,-1.82,;8.79,-2.59,;7.46,-1.82,;7.46,-.28,;8.79,-4.13,;8.79,-5.67,;7.25,-4.13,;10.33,-4.13,;7.46,4.4,;7.46,5.94,;5.92,4.4,;9,4.4,)| Show InChI InChI=1S/C25H30F6N4O2/c1-2-21(36)14-3-6-17(7-4-14)35-12-16(13-35)33-23(37)11-32-20-10-22(25(29,30)31)34-19-8-5-15(9-18(19)20)24(26,27)28/h5,8-10,14,16-17,21,36H,2-4,6-7,11-13H2,1H3,(H,32,34)(H,33,37)/t14-,17+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163491
(US9062048, 117)Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:3.2,6.9,(-8.28,-2.63,;-8.28,-1.09,;-9.61,-.32,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-1.46,1.59,;-1.06,3.08,;-2.55,3.48,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C23H30F3N5O/c1-14(2)15-3-6-18(7-4-15)31-11-17(12-31)30-21(32)10-27-22-19-9-16(23(24,25)26)5-8-20(19)28-13-29-22/h5,8-9,13-15,17-18H,3-4,6-7,10-12H2,1-2H3,(H,30,32)(H,27,28,29)/t15-,18+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163495
(US9062048, 122)Show SMILES CCOC(=O)CC1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-10.28,-4.78,;-8.95,-4.01,;-8.95,-2.47,;-7.61,-1.7,;-6.28,-2.47,;-7.61,-.16,;-6.28,.61,;-6.28,2.15,;-4.94,2.92,;-3.61,2.15,;-3.61,.61,;-4.94,-.16,;-2.28,2.92,;-.79,2.52,;-.39,4.01,;-1.88,4.41,;.94,4.78,;2.28,4.01,;3.61,4.78,;2.28,2.47,;3.61,1.7,;3.61,.16,;2.28,-.61,;2.28,-2.15,;3.61,-2.92,;4.94,-2.15,;6.28,-2.92,;7.61,-2.15,;7.61,-.61,;6.28,.16,;4.94,-.61,;8.95,.16,;10.28,.93,;9.72,-1.17,;8.18,1.49,)| Show InChI InChI=1S/C24H30F3N5O3/c1-2-35-22(34)9-15-3-6-18(7-4-15)32-12-17(13-32)31-21(33)11-28-23-19-10-16(24(25,26)27)5-8-20(19)29-14-30-23/h5,8,10,14-15,17-18H,2-4,6-7,9,11-13H2,1H3,(H,31,33)(H,28,29,30) | KEGG
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163487
(US9062048, 113)Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:9.8,12.15,(-10.28,-4.39,;-10.28,-2.85,;-11.61,-2.08,;-10.28,-1.31,;-8.95,-2.08,;-7.61,-2.85,;-7.61,-4.39,;-6.28,-2.08,;-6.28,-.54,;-4.94,.23,;-4.94,1.77,;-3.61,2.54,;-2.28,1.77,;-2.28,.23,;-3.61,-.54,;-.94,2.54,;.54,2.14,;.94,3.62,;-.54,4.02,;2.28,4.39,;3.61,3.62,;4.94,4.39,;3.61,2.08,;4.94,1.31,;4.94,-.23,;3.61,-1,;3.61,-2.54,;4.94,-3.31,;6.28,-2.54,;7.61,-3.31,;8.95,-2.54,;8.95,-1,;7.61,-.23,;6.28,-1,;10.28,-.23,;11.61,.54,;11.05,-1.56,;9.51,1.11,)| Show InChI InChI=1S/C26H35F3N6O3/c1-25(2,3)38-24(37)31-11-16-4-7-19(8-5-16)35-13-18(14-35)34-22(36)12-30-23-20-10-17(26(27,28)29)6-9-21(20)32-15-33-23/h6,9-10,15-16,18-19H,4-5,7-8,11-14H2,1-3H3,(H,31,37)(H,34,36)(H,30,32,33)/t16-,19+ | KEGG
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163447
(US9062048, 74)Show SMILES CNc1cnccc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-5.71,-.67,;-7.25,-.67,;-8.02,.67,;-9.56,.67,;-10.33,2,;-9.56,3.33,;-8.02,3.33,;-7.25,2,;-5.71,2,;-4.94,.67,;-3.4,.67,;-2.63,2,;-3.4,3.33,;-4.94,3.33,;-1.09,2,;,.91,;1.09,2,;,3.09,;2.63,2,;3.4,.67,;2.63,-.67,;4.94,.67,;5.71,2,;7.25,2,;8.02,3.33,;9.56,3.33,;10.33,2,;9.56,.67,;10.33,-.67,;9.56,-2,;8.02,-2,;7.25,-.67,;8.02,.67,;7.25,-3.33,;6.48,-4.67,;5.71,-3.33,;8.02,-4.67,)| Show InChI InChI=1S/C26H30F3N7O/c1-30-23-11-31-9-8-20(23)16-2-5-19(6-3-16)36-13-18(14-36)35-24(37)12-32-25-21-10-17(26(27,28)29)4-7-22(21)33-15-34-25/h4,7-11,15-16,18-19,30H,2-3,5-6,12-14H2,1H3,(H,35,37)(H,32,33,34) | KEGG
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163410
(US9062048, 59)Show SMILES FC(F)(F)c1ccc2nc(cc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1)C(F)(F)F |r,wU:24.28,21.21,(10.27,-.77,;8.94,,;8.94,1.54,;10.29,.78,;7.6,-.77,;7.6,-2.31,;6.27,-3.08,;4.93,-2.31,;3.6,-3.08,;2.27,-2.31,;2.27,-.77,;3.6,,;3.6,1.54,;2.27,2.31,;2.27,3.85,;3.6,4.62,;.93,4.62,;-.4,3.85,;-.8,2.36,;-2.29,2.76,;-1.89,4.25,;-3.62,1.99,;-3.62,.45,;-4.95,-.32,;-6.29,.45,;-6.29,1.99,;-4.95,2.76,;-7.62,-.32,;-7.62,-1.86,;-8.95,-2.63,;-10.29,-1.86,;-10.29,-.32,;-8.95,.45,;-8.95,1.99,;4.93,-.77,;6.27,,;.93,-3.08,;.93,-4.62,;-.4,-2.31,;-.4,-3.85,)| Show InChI InChI=1S/C27H27F6N5O2/c28-26(29,30)16-4-9-21-20(11-16)22(12-23(36-21)27(31,32)33)34-13-24(39)35-17-14-37(15-17)18-5-7-19(8-6-18)38-10-2-1-3-25(38)40/h1-4,9-12,17-19H,5-8,13-15H2,(H,34,36)(H,35,39)/t18-,19+ | KEGG
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163496
(US9062048, 123)Show SMILES FC(F)(F)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-10.28,-1.86,;-8.95,-1.09,;-10.43,-.69,;-8.95,-2.63,;-7.61,-.32,;-6.28,-1.09,;-4.94,-.32,;-4.94,1.22,;-6.28,1.99,;-7.61,1.22,;-3.61,1.99,;-2.12,1.59,;-1.72,3.08,;-3.21,3.48,;-.39,3.85,;.94,3.08,;2.28,3.85,;.94,1.54,;2.28,.77,;2.28,-.77,;.94,-1.54,;.94,-3.08,;2.28,-3.85,;3.61,-3.08,;4.94,-3.85,;6.28,-3.08,;6.28,-1.54,;4.94,-.77,;3.61,-1.54,;7.61,-.77,;8.95,,;8.38,-2.1,;6.84,.56,)| Show InChI InChI=1S/C21H23F6N5O/c22-20(23,24)12-1-4-15(5-2-12)32-9-14(10-32)31-18(33)8-28-19-16-7-13(21(25,26)27)3-6-17(16)29-11-30-19/h3,6-7,11-12,14-15H,1-2,4-5,8-10H2,(H,31,33)(H,28,29,30) | KEGG
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163350
(US9062048, 33)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCC3)c2c1 |r,wU:21.21,24.28,(8.7,-4.11,;8.7,-2.57,;7.16,-2.57,;10.24,-2.57,;8.7,-1.03,;10.04,-.26,;10.04,1.28,;8.7,2.05,;8.7,3.59,;7.37,4.36,;6.04,3.59,;6.04,2.05,;4.7,1.28,;3.37,2.05,;2.03,1.28,;2.03,-.26,;.7,2.05,;-.63,1.28,;-1.03,-.21,;-2.52,.19,;-2.12,1.68,;-3.85,-.58,;-5.19,.19,;-6.52,-.58,;-6.52,-2.12,;-5.19,-2.89,;-3.85,-2.12,;-7.85,-2.89,;-8.33,-4.36,;-9.87,-4.36,;-10.35,-2.89,;-9.1,-1.99,;7.37,1.28,;7.37,-.26,)| Show InChI InChI=1S/C25H32F3N5O/c26-25(27,28)18-7-10-22-21(11-18)24(31-15-30-22)29-12-23(34)32-19-13-33(14-19)20-8-5-17(6-9-20)16-3-1-2-4-16/h7,10-11,15-17,19-20H,1-6,8-9,12-14H2,(H,32,34)(H,29,30,31)/t17-,20+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163368
(US9062048, 38)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCOCC3)c2c1 |r,wU:24.28,21.21,(8.84,-3.69,;8.84,-2.15,;7.3,-2.15,;10.38,-2.15,;8.84,-.61,;10.18,.16,;10.18,1.7,;8.84,2.47,;8.84,4.01,;7.51,4.78,;6.17,4.01,;6.17,2.47,;4.84,1.7,;3.51,2.47,;2.17,1.7,;2.17,.16,;.84,2.47,;-.49,1.7,;-.89,.21,;-2.38,.61,;-1.98,2.1,;-3.71,-.16,;-5.05,.61,;-6.38,-.16,;-6.38,-1.7,;-5.05,-2.47,;-3.71,-1.7,;-7.71,-2.47,;-9.05,-1.7,;-10.38,-2.47,;-10.38,-4.01,;-9.05,-4.78,;-7.71,-4.01,;7.51,1.7,;7.51,.16,)| Show InChI InChI=1S/C25H32F3N5O2/c26-25(27,28)18-3-6-22-21(11-18)24(31-15-30-22)29-12-23(34)32-19-13-33(14-19)20-4-1-16(2-5-20)17-7-9-35-10-8-17/h3,6,11,15-17,19-20H,1-2,4-5,7-10,12-14H2,(H,32,34)(H,29,30,31)/t16-,20+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163384
(US9062048, 47)Show SMILES CCN([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(=O)OCc1ccccc1 |r,wU:3.2,6.9,(-7.61,3.31,;-7.61,1.77,;-6.28,1,;-4.94,1.77,;-4.94,3.31,;-3.61,4.08,;-2.28,3.31,;-2.28,1.77,;-3.61,1,;-.94,4.08,;.54,3.68,;.94,5.16,;-.54,5.56,;2.28,5.93,;3.61,5.16,;4.94,5.93,;3.61,3.62,;4.94,2.85,;4.94,1.31,;3.61,.54,;3.61,-1,;4.94,-1.77,;6.28,-1,;7.61,-1.77,;8.95,-1,;8.95,.54,;7.61,1.31,;6.28,.54,;10.28,1.31,;11.61,.54,;10.28,2.85,;11.61,2.08,;-6.28,-.54,;-4.94,-1.31,;-7.61,-1.31,;-7.61,-2.85,;-8.95,-3.62,;-8.95,-5.16,;-10.28,-5.93,;-11.61,-5.16,;-11.61,-3.62,;-10.28,-2.85,)| Show InChI InChI=1S/C30H35F3N6O3/c1-2-39(29(41)42-18-20-6-4-3-5-7-20)24-11-9-23(10-12-24)38-16-22(17-38)37-27(40)15-34-28-25-14-21(30(31,32)33)8-13-26(25)35-19-36-28/h3-8,13-14,19,22-24H,2,9-12,15-18H2,1H3,(H,37,40)(H,34,35,36)/t23-,24+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163310
(US9062048, 21)Show SMILES CS(=O)CC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.5,9.12,(-11.1,-2.08,;-9.77,-2.85,;-9.77,-4.39,;-8.44,-2.08,;-7.1,-2.85,;-7.1,-4.39,;-5.77,-2.08,;-5.77,-.54,;-4.44,.23,;-3.1,-.54,;-3.1,-2.08,;-4.44,-2.85,;-1.77,.23,;-.28,-.17,;.12,1.31,;-1.37,1.71,;1.45,2.08,;2.79,1.31,;2.79,-.23,;4.12,2.08,;5.45,1.31,;6.79,2.08,;6.79,3.62,;8.12,4.39,;9.45,3.62,;9.45,2.08,;10.79,1.31,;10.79,-.23,;9.45,-1,;8.12,-.23,;8.12,1.31,;9.45,-2.54,;9.45,-4.08,;7.91,-2.54,;10.99,-2.54,)| Show InChI InChI=1S/C23H30F3N5O3S/c1-35(34)12-20(32)14-2-5-17(6-3-14)31-10-16(11-31)30-21(33)9-27-22-18-8-15(23(24,25)26)4-7-19(18)28-13-29-22/h4,7-8,13-14,16-17,20,32H,2-3,5-6,9-12H2,1H3,(H,30,33)(H,27,28,29)/t14-,17+,20?,35? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163505
(US9062048, 132)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:24.28,(10.2,,;8.86,-.77,;9.63,-2.1,;8.09,.56,;7.53,-1.54,;7.53,-3.08,;6.19,-3.85,;4.86,-3.08,;3.53,-3.85,;2.19,-3.08,;2.19,-1.54,;3.53,-.77,;3.53,.77,;2.19,1.54,;2.19,3.08,;3.53,3.85,;.86,3.85,;-.47,3.08,;-1.96,3.48,;-2.36,1.99,;-.87,1.59,;-3.69,1.22,;-5.03,1.99,;-6.36,1.22,;-6.36,-.32,;-5.03,-1.09,;-3.69,-.32,;-7.69,-1.09,;-9.03,-.32,;-10.36,-1.09,;-10.36,-2.63,;-9.03,-3.4,;-7.69,-2.63,;4.86,-1.54,;6.19,-.77,)| Show InChI InChI=1S/C24H31F3N6O2/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-35-10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)/t18-,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163506
(US9062048, 133)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)N3CCSCC3)c2c1 |r,wU:24.28,(10.2,,;8.86,-.77,;9.63,-2.1,;8.09,.56,;7.53,-1.54,;7.53,-3.08,;6.19,-3.85,;4.86,-3.08,;3.53,-3.85,;2.19,-3.08,;2.19,-1.54,;3.53,-.77,;3.53,.77,;2.19,1.54,;2.19,3.08,;3.53,3.85,;.86,3.85,;-.47,3.08,;-1.96,3.48,;-2.36,1.99,;-.87,1.59,;-3.69,1.22,;-5.03,1.99,;-6.36,1.22,;-6.36,-.32,;-5.03,-1.09,;-3.69,-.32,;-7.69,-1.09,;-9.03,-.32,;-10.36,-1.09,;-10.36,-2.63,;-9.03,-3.4,;-7.69,-2.63,;4.86,-1.54,;6.19,-.77,)| Show InChI InChI=1S/C24H31F3N6OS/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-35-10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)/t18-,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163500
(US9062048, 127)Show SMILES CCNC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.03,-.32,;-9.69,-1.09,;-8.36,-.32,;-7.03,-1.09,;-7.03,-2.63,;-5.69,-.32,;-5.69,1.22,;-4.36,1.99,;-3.03,1.22,;-3.03,-.32,;-4.36,-1.09,;-1.69,1.99,;-1.29,3.48,;.19,3.08,;-.21,1.59,;1.53,3.85,;2.86,3.08,;4.19,3.85,;2.86,1.54,;4.19,.77,;4.19,-.77,;2.86,-1.54,;2.86,-3.08,;4.19,-3.85,;5.53,-3.08,;6.86,-3.85,;8.2,-3.08,;8.2,-1.54,;6.86,-.77,;5.53,-1.54,;9.53,-.77,;10.86,,;10.3,-2.1,;8.76,.56,)| Show InChI InChI=1S/C23H29F3N6O2/c1-2-27-22(34)14-3-6-17(7-4-14)32-11-16(12-32)31-20(33)10-28-21-18-9-15(23(24,25)26)5-8-19(18)29-13-30-21/h5,8-9,13-14,16-17H,2-4,6-7,10-12H2,1H3,(H,27,34)(H,31,33)(H,28,29,30) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163342
(US9062048, 30)Show SMILES CCC(O)(CC)[C@H]1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.5,(-10.38,-2.47,;-9.05,-1.7,;-7.71,-2.47,;-7.71,-.93,;-7.71,-4.01,;-9.05,-4.78,;-6.38,-1.7,;-6.38,-.16,;-5.05,.61,;-3.71,-.16,;-3.71,-1.7,;-5.05,-2.47,;-2.38,.61,;-1.98,2.1,;-.49,1.7,;-.89,.21,;.84,2.47,;2.17,1.7,;2.17,.16,;3.51,2.47,;4.84,1.7,;6.17,2.47,;6.17,4.01,;7.51,4.78,;8.84,4.01,;8.84,2.47,;10.18,1.7,;10.18,.16,;8.84,-.61,;7.51,.16,;7.51,1.7,;8.84,-2.15,;8.84,-3.69,;7.3,-2.15,;10.38,-2.15,)| Show InChI InChI=1S/C25H34F3N5O2/c1-3-24(35,4-2)16-5-8-19(9-6-16)33-13-18(14-33)32-22(34)12-29-23-20-11-17(25(26,27)28)7-10-21(20)30-15-31-23/h7,10-11,15-16,18-19,35H,3-6,8-9,12-14H2,1-2H3,(H,32,34)(H,29,30,31)/t16-,19? | KEGG
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| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163377
(US9062048, 42)Show SMILES CN([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(=O)OCc1ccccc1 |r,wU:2.1,5.8,(-7.61,1.77,;-6.28,1,;-4.94,1.77,;-4.94,3.31,;-3.61,4.08,;-2.28,3.31,;-2.28,1.77,;-3.61,1,;-.94,4.08,;.54,3.68,;.94,5.16,;-.54,5.56,;2.28,5.93,;3.61,5.16,;4.94,5.93,;3.61,3.62,;4.94,2.85,;4.94,1.31,;3.61,.54,;3.61,-1,;4.94,-1.77,;6.28,-1,;7.61,-1.77,;8.94,-1,;8.94,.54,;7.61,1.31,;6.28,.54,;10.28,1.31,;11.61,.54,;10.28,2.85,;11.61,2.08,;-6.28,-.54,;-4.94,-1.31,;-7.61,-1.31,;-7.61,-2.85,;-8.94,-3.62,;-8.94,-5.16,;-10.28,-5.93,;-11.61,-5.16,;-11.61,-3.62,;-10.28,-2.85,)| Show InChI InChI=1S/C29H33F3N6O3/c1-37(28(40)41-17-19-5-3-2-4-6-19)22-8-10-23(11-9-22)38-15-21(16-38)36-26(39)14-33-27-24-13-20(29(30,31)32)7-12-25(24)34-18-35-27/h2-7,12-13,18,21-23H,8-11,14-17H2,1H3,(H,36,39)(H,33,34,35)/t22-,23+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163497
(US9062048, 124)Show SMILES CN(C)C(=O)OC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.6,10.13,(-8.28,-3.4,;-9.61,-2.63,;-10.95,-3.4,;-9.61,-1.09,;-10.95,-.32,;-8.28,-.32,;-6.94,-1.09,;-5.61,-.32,;-5.61,1.22,;-4.28,1.99,;-2.94,1.22,;-2.94,-.32,;-4.28,-1.09,;-1.61,1.99,;-.12,1.59,;.28,3.08,;-1.21,3.48,;1.61,3.85,;2.94,3.08,;4.28,3.85,;2.94,1.54,;4.28,.77,;4.28,-.77,;2.94,-1.54,;2.94,-3.08,;4.28,-3.85,;5.61,-3.08,;6.94,-3.85,;8.28,-3.08,;8.28,-1.54,;6.94,-.77,;5.61,-1.54,;9.61,-.77,;10.95,,;10.38,-2.1,;8.84,.56,)| Show InChI InChI=1S/C24H31F3N6O3/c1-32(2)23(35)36-13-15-3-6-18(7-4-15)33-11-17(12-33)31-21(34)10-28-22-19-9-16(24(25,26)27)5-8-20(19)29-14-30-22/h5,8-9,14-15,17-18H,3-4,6-7,10-13H2,1-2H3,(H,31,34)(H,28,29,30)/t15-,18+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163498
(US9062048, 125)Show SMILES CC(C)(C)OC(=O)NC1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.7,-1.09,;-10.36,-.32,;-10.36,1.22,;-9.03,.45,;-9.03,-1.09,;-7.69,-.32,;-7.69,1.22,;-6.36,-1.09,;-5.03,-.32,;-5.03,1.22,;-3.69,1.99,;-2.36,1.22,;-2.36,-.32,;-3.69,-1.09,;-1.03,1.99,;-.63,3.48,;.86,3.08,;.46,1.59,;2.19,3.85,;3.53,3.08,;4.86,3.85,;3.53,1.54,;4.86,.77,;4.86,-.77,;3.53,-1.54,;3.53,-3.08,;4.86,-3.85,;6.19,-3.08,;7.53,-3.85,;8.86,-3.08,;8.86,-1.54,;7.53,-.77,;6.19,-1.54,;10.2,-.77,;11.53,,;10.97,-2.1,;9.43,.56,)| Show InChI InChI=1S/C25H33F3N6O3/c1-24(2,3)37-23(36)33-16-5-7-18(8-6-16)34-12-17(13-34)32-21(35)11-29-22-19-10-15(25(26,27)28)4-9-20(19)30-14-31-22/h4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,32,35)(H,33,36)(H,29,30,31) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163371
(US9062048, 39)Show SMILES CN1C(CCC1=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.7,10.14,(-9.36,-.8,;-8.56,-2.14,;-7.09,-2.62,;-7.09,-4.16,;-8.56,-4.63,;-9.46,-3.39,;-11,-3.39,;-5.76,-1.85,;-5.76,-.31,;-4.43,.46,;-3.09,-.31,;-3.09,-1.85,;-4.43,-2.62,;-1.76,.46,;-.27,.06,;.13,1.55,;-1.36,1.95,;1.46,2.32,;2.79,1.55,;2.79,.01,;4.13,2.32,;5.46,1.55,;6.8,2.32,;6.8,3.86,;8.13,4.63,;9.46,3.86,;9.46,2.32,;10.8,1.55,;10.8,.01,;9.46,-.76,;8.13,.01,;8.13,1.55,;9.46,-2.3,;9.46,-3.84,;7.92,-2.3,;11,-2.3,)| Show InChI InChI=1S/C25H31F3N6O2/c1-33-21(8-9-23(33)36)15-2-5-18(6-3-15)34-12-17(13-34)32-22(35)11-29-24-19-10-16(25(26,27)28)4-7-20(19)30-14-31-24/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-13H2,1H3,(H,32,35)(H,29,30,31)/t15-,18+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163364
(US9062048, 37)Show SMILES CC(=C)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:3.2,7.10,wD:3.3,(-8.38,-4.39,;-8.38,-2.85,;-9.72,-2.08,;-7.05,-2.08,;-7.05,-3.62,;-5.71,-2.85,;-4.38,-2.08,;-4.38,-.54,;-5.71,.23,;-7.05,-.54,;-3.05,.23,;-1.56,-.17,;-1.16,1.31,;-2.65,1.71,;.17,2.08,;1.51,1.31,;1.51,-.23,;2.84,2.08,;4.17,1.31,;5.51,2.08,;5.51,3.62,;6.84,4.39,;8.18,3.62,;8.18,2.08,;9.51,1.31,;9.51,-.23,;8.18,-1,;6.84,-.23,;6.84,1.31,;8.18,-2.54,;8.18,-4.08,;6.64,-2.54,;9.72,-2.54,)| Show InChI InChI=1S/C23H28F3N5O2/c1-14(2)22(33)7-5-17(6-8-22)31-11-16(12-31)30-20(32)10-27-21-18-9-15(23(24,25)26)3-4-19(18)28-13-29-21/h3-4,9,13,16-17,33H,1,5-8,10-12H2,2H3,(H,30,32)(H,27,28,29)/t17-,22- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163490
(US9062048, 116)Show SMILES NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:2.1,5.8,(-8.95,-2.63,;-8.95,-1.09,;-7.61,-.32,;-7.61,1.22,;-6.28,1.99,;-4.94,1.22,;-4.94,-.32,;-6.28,-1.09,;-3.61,1.99,;-2.12,1.59,;-1.72,3.08,;-3.21,3.48,;-.39,3.85,;.94,3.08,;2.28,3.85,;.94,1.54,;2.28,.77,;2.28,-.77,;.94,-1.54,;.94,-3.08,;2.28,-3.85,;3.61,-3.08,;4.94,-3.85,;6.28,-3.08,;6.28,-1.54,;4.94,-.77,;3.61,-1.54,;7.61,-.77,;8.95,,;8.38,-2.1,;6.84,.56,)| Show InChI InChI=1S/C21H27F3N6O/c22-21(23,24)14-3-6-18-17(7-14)20(28-12-27-18)26-9-19(31)29-15-10-30(11-15)16-4-1-13(8-25)2-5-16/h3,6-7,12-13,15-16H,1-2,4-5,8-11,25H2,(H,29,31)(H,26,27,28)/t13-,16+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163527
(US9062048, 141)Show SMILES CCC(NC(N)=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.6,10.13,(-10.38,1.7,;-9.05,.93,;-7.71,1.7,;-7.71,3.24,;-9.05,4.01,;-9.05,5.55,;-10.38,3.24,;-6.38,.93,;-5.05,1.7,;-3.71,.93,;-3.71,-.61,;-5.05,-1.38,;-6.38,-.61,;-2.38,-1.38,;-1.98,-2.87,;-.49,-2.47,;-.89,-.98,;.84,-3.24,;2.17,-2.47,;2.17,-.93,;3.51,-3.24,;4.84,-2.47,;6.17,-3.24,;6.17,-4.78,;7.51,-5.55,;8.84,-4.78,;8.84,-3.24,;10.18,-2.47,;10.18,-.93,;8.84,-.16,;7.51,-.93,;7.51,-2.47,;8.84,1.38,;8.84,2.92,;10.38,1.38,;7.3,1.38,)| Show InChI InChI=1S/C24H32F3N7O2/c1-2-19(33-23(28)36)14-3-6-17(7-4-14)34-11-16(12-34)32-21(35)10-29-22-18-9-15(24(25,26)27)5-8-20(18)30-13-31-22/h5,8-9,13-14,16-17,19H,2-4,6-7,10-12H2,1H3,(H,32,35)(H3,28,33,36)(H,29,30,31)/t14-,17+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163358
(US9062048, 35)Show SMILES OC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F |r,wD:2.1,5.8,(-4.74,-7.63,;-3.41,-6.86,;-3.41,-5.32,;-2.08,-4.55,;-2.08,-3.01,;-3.41,-2.24,;-4.74,-3.01,;-4.74,-4.55,;-3.41,-.7,;-4.5,.39,;-3.41,1.48,;-2.32,.39,;-3.41,3.02,;-2.08,3.79,;-.74,3.02,;-2.08,5.33,;-.74,6.1,;-.74,7.64,;-2.08,8.41,;-2.08,9.95,;-.74,10.72,;.59,9.95,;1.93,10.72,;3.26,9.95,;3.26,8.41,;1.93,7.64,;.59,8.41,;4.59,7.64,;5.93,6.87,;5.36,8.97,;3.82,6.31,;-2.08,-7.63,;-2.85,-8.96,;-1.31,-6.29,;-.74,-8.4,;-1.51,-9.73,;.03,-7.06,;.59,-9.17,;1.93,-9.94,;-.18,-10.5,;1.36,-7.83,)| Show InChI InChI=1S/C24H25F10N5O2/c25-21(26,23(30,31)24(32,33)34)19(41)12-1-4-15(5-2-12)39-9-14(10-39)38-18(40)8-35-20-16-7-13(22(27,28)29)3-6-17(16)36-11-37-20/h3,6-7,11-12,14-15,19,41H,1-2,4-5,8-10H2,(H,38,40)(H,35,36,37)/t12-,15+,19? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163406
(US9062048, 57)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)N3C(=O)CCC3=O)c2c1 |r,wU:24.28,21.21,(10.28,-1.54,;8.94,-.77,;8.94,.77,;8.94,-2.31,;7.61,-1.54,;7.61,-3.08,;6.28,-3.85,;4.94,-3.08,;3.61,-3.85,;2.28,-3.08,;2.28,-1.54,;3.61,-.77,;3.61,.77,;2.28,1.54,;2.28,3.08,;3.61,3.85,;.94,3.85,;-.39,3.08,;-.79,1.59,;-2.28,1.99,;-1.88,3.48,;-3.61,1.22,;-3.61,-.32,;-4.94,-1.09,;-6.28,-.32,;-6.28,1.22,;-4.94,1.99,;-7.61,-1.09,;-8.94,-.32,;-8.94,1.22,;-10.28,-1.09,;-8.94,-3.4,;-7.61,-2.63,;-6.28,-3.4,;4.94,-1.54,;6.28,-.77,)| Show InChI InChI=1S/C24H27F3N6O3/c25-24(26,27)14-1-6-19-18(9-14)23(30-13-29-19)28-10-20(34)31-15-11-32(12-15)16-2-4-17(5-3-16)33-21(35)7-8-22(33)36/h1,6,9,13,15-17H,2-5,7-8,10-12H2,(H,31,34)(H,28,29,30)/t16-,17+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163488
(US9062048, 114)Show SMILES CC(C)C(=O)NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.6,10.13,(-10.95,-2.85,;-9.61,-2.08,;-9.61,-.54,;-8.28,-2.85,;-8.28,-4.39,;-6.94,-2.08,;-6.94,-.54,;-5.61,.23,;-5.61,1.77,;-4.28,2.54,;-2.94,1.77,;-2.94,.23,;-4.28,-.54,;-1.61,2.54,;-.12,2.14,;.28,3.62,;-1.21,4.02,;1.61,4.39,;2.94,3.62,;4.28,4.39,;2.94,2.08,;4.28,1.31,;4.28,-.23,;2.94,-1,;2.94,-2.54,;4.28,-3.31,;5.61,-2.54,;6.94,-3.31,;8.28,-2.54,;8.28,-1,;6.94,-.23,;5.61,-1,;9.61,-.23,;10.95,.54,;10.38,-1.56,;8.84,1.11,)| Show InChI InChI=1S/C25H33F3N6O2/c1-15(2)24(36)30-10-16-3-6-19(7-4-16)34-12-18(13-34)33-22(35)11-29-23-20-9-17(25(26,27)28)5-8-21(20)31-14-32-23/h5,8-9,14-16,18-19H,3-4,6-7,10-13H2,1-2H3,(H,30,36)(H,33,35)(H,29,31,32)/t16-,19+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163379
(US9062048, 48)Show SMILES CC(C)C(=O)N(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.6,10.13,(-5.61,-2.08,;-6.94,-2.85,;-6.94,-4.39,;-8.28,-2.08,;-9.61,-2.85,;-8.28,-.54,;-9.61,.23,;-6.94,.23,;-6.94,1.77,;-5.61,2.54,;-4.28,1.77,;-4.28,.23,;-5.61,-.54,;-2.94,2.54,;-1.46,2.14,;-1.06,3.62,;-2.55,4.02,;.28,4.39,;1.61,3.62,;2.94,4.39,;1.61,2.08,;2.94,1.31,;2.94,-.23,;1.61,-1,;1.61,-2.54,;2.94,-3.31,;4.28,-2.54,;5.61,-3.31,;6.94,-2.54,;6.94,-1,;5.61,-.23,;4.28,-1,;8.28,-.23,;9.61,-1,;8.28,1.31,;9.61,.54,)| Show InChI InChI=1S/C25H33F3N6O2/c1-15(2)24(36)33(3)18-5-7-19(8-6-18)34-12-17(13-34)32-22(35)11-29-23-20-10-16(25(26,27)28)4-9-21(20)30-14-31-23/h4,9-10,14-15,17-19H,5-8,11-13H2,1-3H3,(H,32,35)(H,29,30,31)/t18-,19+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163344
(US9062048, 31)Show SMILES OC(CC=C)(CC=C)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.14,8.7,(-7.14,-.4,;-7.14,-1.94,;-8.48,-1.17,;-9.57,-2.26,;-11.05,-1.86,;-7.54,-3.43,;-9.03,-3.82,;-9.43,-5.31,;-5.81,-1.17,;-4.48,-1.94,;-3.14,-1.17,;-3.14,.37,;-4.48,1.14,;-5.81,.37,;-1.81,1.14,;-.32,.74,;.08,2.23,;-1.41,2.63,;1.41,3,;2.74,2.23,;2.74,.69,;4.08,3,;5.41,2.23,;6.74,3,;6.74,4.54,;8.08,5.31,;9.41,4.54,;9.41,3,;10.75,2.23,;10.75,.69,;9.41,-.08,;8.08,.69,;8.08,2.23,;9.41,-1.62,;9.41,-3.16,;7.87,-1.62,;10.95,-1.62,)| Show InChI InChI=1S/C27H34F3N5O2/c1-3-11-26(37,12-4-2)18-5-8-21(9-6-18)35-15-20(16-35)34-24(36)14-31-25-22-13-19(27(28,29)30)7-10-23(22)32-17-33-25/h3-4,7,10,13,17-18,20-21,37H,1-2,5-6,8-9,11-12,14-16H2,(H,34,36)(H,31,32,33)/t18-,21+ | KEGG
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163504
(US9062048, 131)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)N3CCC(F)(F)C3)c2c1 |r,wU:24.28,(10.05,.29,;8.71,-.48,;9.48,-1.81,;7.94,.86,;7.38,-1.25,;7.38,-2.79,;6.05,-3.56,;4.71,-2.79,;3.38,-3.56,;2.04,-2.79,;2.04,-1.25,;3.38,-.48,;3.38,1.06,;2.04,1.83,;2.04,3.37,;3.38,4.14,;.71,4.14,;-.62,3.37,;-2.11,3.77,;-2.51,2.29,;-1.02,1.89,;-3.84,1.52,;-5.18,2.29,;-6.51,1.52,;-6.51,-.02,;-5.18,-.79,;-3.84,-.02,;-7.84,-.79,;-9.31,-.32,;-10.21,-1.56,;-9.31,-2.81,;-10.08,-4.14,;-8.54,-4.14,;-7.84,-2.33,;4.71,-1.25,;6.05,-.48,)| Show InChI InChI=1S/C24H29F5N6O/c25-23(26)7-8-34(13-23)17-2-4-18(5-3-17)35-11-16(12-35)33-21(36)10-30-22-19-9-15(24(27,28)29)1-6-20(19)31-14-32-22/h1,6,9,14,16-18H,2-5,7-8,10-13H2,(H,33,36)(H,30,31,32)/t17-,18? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163489
(US9062048, 115)Show SMILES CC(C)N(C[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(C)=O |r,wU:5.4,8.11,(-4.94,-2.08,;-6.28,-2.85,;-6.28,-4.39,;-7.61,-2.08,;-7.61,-.54,;-6.28,.23,;-6.28,1.77,;-4.94,2.54,;-3.61,1.77,;-3.61,.23,;-4.94,-.54,;-2.28,2.54,;-.79,2.14,;-.39,3.62,;-1.88,4.02,;.94,4.39,;2.28,3.62,;3.61,4.39,;2.28,2.08,;3.61,1.31,;3.61,-.23,;2.28,-1,;2.28,-2.54,;3.61,-3.31,;4.94,-2.54,;6.28,-3.31,;7.61,-2.54,;7.61,-1,;6.28,-.23,;4.94,-1,;8.95,-.23,;10.28,.54,;9.72,-1.56,;8.18,1.11,;-8.95,-2.85,;-8.95,-4.39,;-10.28,-2.08,)| Show InChI InChI=1S/C26H35F3N6O2/c1-16(2)35(17(3)36)12-18-4-7-21(8-5-18)34-13-20(14-34)33-24(37)11-30-25-22-10-19(26(27,28)29)6-9-23(22)31-15-32-25/h6,9-10,15-16,18,20-21H,4-5,7-8,11-14H2,1-3H3,(H,33,37)(H,30,31,32)/t18-,21+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163398
(US9062048, 53)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)N3CCCO3)c2c1 |r,wU:21.21,24.28,(10.28,-1.54,;8.95,-.77,;8.95,.77,;10.28,,;7.61,-1.54,;7.61,-3.08,;6.28,-3.85,;4.94,-3.08,;3.61,-3.85,;2.28,-3.08,;2.28,-1.54,;3.61,-.77,;3.61,.77,;2.28,1.54,;2.28,3.08,;3.61,3.85,;.94,3.85,;-.39,3.08,;-1.88,3.48,;-2.28,1.99,;-.79,1.59,;-3.61,1.22,;-3.61,-.32,;-4.94,-1.09,;-6.28,-.32,;-6.28,1.22,;-4.94,1.99,;-7.61,-1.09,;-7.61,-2.63,;-8.95,-3.4,;-10.28,-1.09,;-8.95,-.32,;4.94,-1.54,;6.28,-.77,)| Show InChI InChI=1S/C23H29F3N6O2/c24-23(25,26)15-2-7-20-19(10-15)22(29-14-28-20)27-11-21(33)30-16-12-31(13-16)17-3-5-18(6-4-17)32-8-1-9-34-32/h2,7,10,14,16-18H,1,3-6,8-9,11-13H2,(H,30,33)(H,27,28,29)/t17-,18+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163501
(US9062048, 128)Show SMILES CN(C)C(=O)[C@H]1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:5.4,(-10.36,-1.09,;-9.03,-.32,;-9.03,1.22,;-7.69,-1.09,;-7.69,-2.63,;-6.36,-.32,;-6.36,1.22,;-5.03,1.99,;-3.69,1.22,;-3.69,-.32,;-5.03,-1.09,;-2.36,1.99,;-1.96,3.48,;-.47,3.08,;-.87,1.59,;.86,3.85,;2.19,3.08,;3.53,3.85,;2.19,1.54,;3.53,.77,;3.53,-.77,;2.19,-1.54,;2.19,-3.08,;3.53,-3.85,;4.86,-3.08,;6.19,-3.85,;7.53,-3.08,;7.53,-1.54,;6.19,-.77,;4.86,-1.54,;8.86,-.77,;10.2,,;9.63,-2.1,;8.09,.56,)| Show InChI InChI=1S/C23H29F3N6O2/c1-31(2)22(34)14-3-6-17(7-4-14)32-11-16(12-32)30-20(33)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17H,3-4,6-7,10-12H2,1-2H3,(H,30,33)(H,27,28,29)/t14-,17? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163608
(US9062048, 146)Show SMILES O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F)c1cncs1 |r,wD:4.7,1.0,(-7.18,-5.66,;-5.85,-6.43,;-5.08,-5.1,;-3.54,-5.1,;-2.77,-6.43,;-3.54,-7.77,;-5.08,-7.77,;-1.23,-6.43,;-.14,-7.52,;.95,-6.43,;-.14,-5.34,;2.49,-6.43,;3.26,-5.1,;2.49,-3.77,;4.8,-5.1,;5.57,-6.43,;7.11,-6.43,;7.88,-7.77,;9.42,-7.77,;10.19,-6.43,;9.42,-5.1,;10.19,-3.77,;9.42,-2.43,;7.88,-2.43,;7.11,-3.77,;7.88,-5.1,;7.11,-1.1,;6.34,.23,;5.62,-1.5,;7.88,.23,;-7.18,-7.2,;-7.18,-8.74,;-8.65,-9.22,;-9.55,-7.97,;-8.65,-6.73,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-7-17-18(29-8-14)3-6-28-21(17)30-10-20(33)31-15-11-32(12-15)16-1-4-22(34,5-2-16)19-9-27-13-35-19/h3,6-9,13,15-16,34H,1-2,4-5,10-12H2,(H,28,30)(H,31,33)/t16-,22+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163502
(US9062048, 129)Show SMILES COc1ccc(CNC(=O)C2CCC(CC2)N2CC(C2)NC(=O)CNc2ncnc3ccc(cc23)C(F)(F)F)c(OC)c1 |(-13.7,1.22,;-12.36,1.99,;-11.03,1.22,;-9.7,1.99,;-8.36,1.22,;-8.36,-.32,;-7.03,-1.09,;-5.69,-.32,;-4.36,-1.09,;-4.36,-2.63,;-3.03,-.32,;-3.03,1.22,;-1.69,1.99,;-.36,1.22,;-.36,-.32,;-1.69,-1.09,;.97,1.99,;1.37,3.48,;2.86,3.08,;2.46,1.59,;4.19,3.85,;5.53,3.08,;6.86,3.85,;5.53,1.54,;6.86,.77,;6.86,-.77,;5.53,-1.54,;5.53,-3.08,;6.86,-3.85,;8.2,-3.08,;9.53,-3.85,;10.86,-3.08,;10.86,-1.54,;9.53,-.77,;8.2,-1.54,;12.2,-.77,;13.53,-0,;12.97,-2.1,;11.43,.56,;-9.7,-1.09,;-9.7,-2.63,;-11.03,-3.4,;-11.03,-.32,)| Show InChI InChI=1S/C30H35F3N6O4/c1-42-23-9-5-19(26(12-23)43-2)13-35-29(41)18-3-7-22(8-4-18)39-15-21(16-39)38-27(40)14-34-28-24-11-20(30(31,32)33)6-10-25(24)36-17-37-28/h5-6,9-12,17-18,21-22H,3-4,7-8,13-16H2,1-2H3,(H,35,41)(H,38,40)(H,34,36,37) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163382
(US9062048, 45)Show SMILES CCC(=O)N(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.5,9.12,(-6.39,-4.18,;-6.39,-2.64,;-7.88,-2.24,;-8.97,-3.33,;-8.28,-.76,;-9.61,.01,;-6.94,.01,;-6.94,1.55,;-5.61,2.32,;-4.28,1.55,;-4.28,.01,;-5.61,-.76,;-2.94,2.32,;-1.46,1.93,;-1.06,3.41,;-2.55,3.81,;.28,4.18,;1.61,3.41,;2.94,4.18,;1.61,1.87,;2.94,1.1,;2.94,-.44,;1.61,-1.21,;1.61,-2.75,;2.94,-3.52,;4.28,-2.75,;5.61,-3.52,;6.94,-2.75,;6.94,-1.21,;5.61,-.44,;4.28,-1.21,;8.28,-.44,;9.61,-1.21,;8.28,1.1,;8.28,-1.98,)| Show InChI InChI=1S/C24H31F3N6O2/c1-3-22(35)32(2)17-5-7-18(8-6-17)33-12-16(13-33)31-21(34)11-28-23-19-10-15(24(25,26)27)4-9-20(19)29-14-30-23/h4,9-10,14,16-18H,3,5-8,11-13H2,1-2H3,(H,31,34)(H,28,29,30)/t17-,18+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163562
(US9062048, 150)Show SMILES CCC(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F |r,wU:4.3,wD:7.10,(-9.69,-9.59,;-8.15,-9.59,;-7.38,-8.26,;-8.15,-6.92,;-5.84,-8.26,;-5.07,-6.92,;-3.53,-6.92,;-2.76,-8.26,;-3.53,-9.59,;-5.07,-9.59,;-1.22,-8.26,;-.13,-7.17,;.96,-8.26,;-.13,-9.35,;2.5,-8.26,;3.27,-6.92,;2.5,-5.59,;4.81,-6.92,;5.58,-8.26,;7.12,-8.26,;7.89,-9.59,;9.43,-9.59,;10.2,-8.26,;9.43,-6.92,;10.2,-5.59,;9.43,-4.26,;7.89,-4.26,;7.12,-5.59,;7.89,-6.92,;7.12,-2.92,;6.35,-1.59,;5.79,-3.69,;8.46,-2.15,)| Show InChI InChI=1S/C23H30F3N5O2/c1-2-20(32)14-3-5-17(6-4-14)31-12-16(13-31)30-21(33)11-29-22-18-9-15(23(24,25)26)10-28-19(18)7-8-27-22/h7-10,14,16-17,20,32H,2-6,11-13H2,1H3,(H,27,29)(H,30,33)/t14-,17-,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163612
(US9062048, 156)Show SMILES CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-10.09,5.42,;-8.75,6.19,;-7.42,5.42,;-8.75,7.73,;-10.09,8.5,;-7.42,8.5,;-6.65,9.83,;-5.11,9.83,;-4.34,8.5,;-5.11,7.17,;-6.65,7.17,;-2.8,8.5,;-1.71,9.59,;-.62,8.5,;-1.71,7.41,;.92,8.5,;1.69,9.83,;.92,11.17,;3.23,9.83,;4,8.5,;5.54,8.5,;6.31,7.17,;7.85,7.17,;8.62,8.5,;7.85,9.83,;8.62,11.17,;7.85,12.5,;6.31,12.5,;5.54,11.17,;6.31,9.83,;5.54,13.83,;4.77,15.17,;4.05,13.44,;6.31,15.17,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-5-18(6-4-15)32-12-17(13-32)31-21(33)11-30-23-19-9-16(24(25,26)27)10-29-20(19)7-8-28-23/h7-10,14-15,17-18,22,34H,3-6,11-13H2,1-2H3,(H,28,30)(H,31,33)/t15-,18+,22? | KEGG
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163380
(US9062048, 43)Show SMILES CN[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:2.1,5.8,(-9.17,-5.33,;-8.4,-4,;-6.86,-4,;-6.09,-2.67,;-4.55,-2.67,;-3.78,-4,;-4.55,-5.33,;-6.09,-5.33,;-2.24,-4,;-1.15,-5.09,;-.07,-4,;-1.15,-2.91,;1.47,-4,;2.24,-2.67,;1.47,-1.33,;3.78,-2.67,;4.55,-1.33,;6.09,-1.33,;6.86,-2.67,;8.4,-2.67,;9.17,-1.33,;8.4,,;9.17,1.33,;8.4,2.67,;6.86,2.67,;6.09,1.33,;6.86,,;6.09,4,;4.55,4,;6.86,5.33,;5.32,5.33,)| Show InChI InChI=1S/C21H27F3N6O/c1-25-14-3-5-16(6-4-14)30-10-15(11-30)29-19(31)9-26-20-17-8-13(21(22,23)24)2-7-18(17)27-12-28-20/h2,7-8,12,14-16,25H,3-6,9-11H2,1H3,(H,29,31)(H,26,27,28)/t14-,16+ | KEGG
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| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163381
(US9062048, 44)Show SMILES CN([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(C)=O |r,wU:2.1,5.8,(-9.61,-.32,;-8.28,-1.09,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-1.46,1.59,;-1.06,3.08,;-2.55,3.48,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,-1.54,;8.28,.77,;8.28,-2.31,;-8.28,-2.63,;-6.94,-3.4,;-9.61,-3.4,)| Show InChI InChI=1S/C23H29F3N6O2/c1-14(33)31(2)17-4-6-18(7-5-17)32-11-16(12-32)30-21(34)10-27-22-19-9-15(23(24,25)26)3-8-20(19)28-13-29-22/h3,8-9,13,16-18H,4-7,10-12H2,1-2H3,(H,30,34)(H,27,28,29)/t17-,18+ | KEGG
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| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163568
(US9062048, 157 | US9062048, 158)Show SMILES CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1cnnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-10.64,4.09,;-9.1,4.09,;-8.33,2.75,;-8.33,5.42,;-9.1,6.75,;-6.79,5.42,;-6.02,6.75,;-4.48,6.75,;-3.71,5.42,;-4.48,4.09,;-6.02,4.09,;-2.17,5.42,;-1.09,6.51,;0,5.42,;-1.09,4.33,;1.54,5.42,;2.31,6.75,;1.54,8.09,;3.85,6.75,;4.62,5.42,;6.16,5.42,;6.93,4.09,;8.47,4.09,;9.24,5.42,;8.47,6.75,;9.24,8.09,;8.47,9.42,;6.93,9.42,;6.16,8.09,;6.93,6.75,;6.16,10.75,;5.39,12.09,;4.68,10.36,;6.93,12.09,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)23(34)15-3-6-18(7-4-15)32-12-17(13-32)30-22(33)11-28-21-10-29-31-20-8-5-16(9-19(20)21)24(25,26)27/h5,8-10,14-15,17-18,23,34H,3-4,6-7,11-13H2,1-2H3,(H,28,31)(H,30,33)/t15-,18+,23? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163474
(US9062048, 103)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(=O)CC3)c2c1 Show InChI InChI=1S/C20H22F3N5O2/c21-20(22,23)12-1-6-17-16(7-12)19(26-11-25-17)24-8-18(30)27-13-9-28(10-13)14-2-4-15(29)5-3-14/h1,6-7,11,13-14H,2-5,8-10H2,(H,27,30)(H,24,25,26) | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163565
(US9062048, 152)Show SMILES CCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1cnnc2ccc(cc12)C(F)(F)F |r,wU:7.10,4.3,(-9.94,-3.33,;-8.4,-3.33,;-7.63,-2,;-8.4,-.67,;-6.09,-2,;-5.32,-.67,;-3.78,-.67,;-3.01,-2,;-3.78,-3.33,;-5.32,-3.33,;-1.47,-2,;-.38,-3.09,;.7,-2,;-.38,-.91,;2.24,-2,;3.01,-.67,;2.24,.67,;4.55,-.67,;5.32,-2,;6.86,-2,;7.63,-3.33,;9.17,-3.33,;9.94,-2,;9.17,-.67,;9.94,.67,;9.17,2,;7.63,2,;6.86,.67,;7.63,-.67,;6.86,3.33,;6.09,4.67,;5.53,2.56,;8.2,4.1,)| Show InChI InChI=1S/C23H30F3N5O2/c1-2-21(32)14-3-6-17(7-4-14)31-12-16(13-31)29-22(33)11-27-20-10-28-30-19-8-5-15(9-18(19)20)23(24,25)26/h5,8-10,14,16-17,21,32H,2-4,6-7,11-13H2,1H3,(H,27,30)(H,29,33)/t14-,17+,21? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163405
(US9062048, 56)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)N3CCCCC3=O)c2c1 |r,wU:24.28,21.21,(10.28,2.92,;8.94,2.15,;7.61,2.92,;8.94,3.69,;8.94,.61,;10.28,-.16,;10.28,-1.7,;8.94,-2.47,;8.94,-4.01,;7.61,-4.78,;6.28,-4.01,;6.28,-2.47,;4.94,-1.7,;3.61,-2.47,;2.28,-1.7,;2.28,-.16,;.94,-2.47,;-.39,-1.7,;-1.88,-2.1,;-2.28,-.61,;-.79,-.21,;-3.61,.16,;-4.94,-.61,;-6.28,.16,;-6.28,1.7,;-4.94,2.47,;-3.61,1.7,;-7.61,2.47,;-7.61,4.01,;-8.94,4.78,;-10.28,4.01,;-10.28,2.47,;-8.94,1.7,;-8.94,.16,;7.61,-1.7,;7.61,-.16,)| Show InChI InChI=1S/C25H31F3N6O2/c26-25(27,28)16-4-9-21-20(11-16)24(31-15-30-21)29-12-22(35)32-17-13-33(14-17)18-5-7-19(8-6-18)34-10-2-1-3-23(34)36/h4,9,11,15,17-19H,1-3,5-8,10,12-14H2,(H,32,35)(H,29,30,31)/t18-,19+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163535
(US9062048, 144)Show SMILES CCC(NC(=O)OC)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.14,8.7,(-10.4,1.31,;-9.06,.54,;-7.73,1.31,;-7.73,2.85,;-9.06,3.62,;-10.4,2.85,;-9.06,5.16,;-10.4,5.93,;-6.4,.54,;-5.06,1.31,;-3.73,.54,;-3.73,-1,;-5.06,-1.77,;-6.4,-1,;-2.4,-1.77,;-.91,-1.37,;-.51,-2.85,;-2,-3.25,;.82,-3.62,;2.16,-2.85,;2.16,-1.31,;3.49,-3.62,;4.83,-2.85,;6.16,-3.62,;6.16,-5.16,;7.49,-5.93,;8.83,-5.16,;8.83,-3.62,;10.16,-2.85,;10.16,-1.31,;8.83,-.54,;7.49,-1.31,;7.49,-2.85,;8.83,1,;8.83,2.54,;10.37,1,;7.29,1,)| Show InChI InChI=1S/C25H33F3N6O3/c1-3-20(33-24(36)37-2)15-4-7-18(8-5-15)34-12-17(13-34)32-22(35)11-29-23-19-10-16(25(26,27)28)6-9-21(19)30-14-31-23/h6,9-10,14-15,17-18,20H,3-5,7-8,11-13H2,1-2H3,(H,32,35)(H,33,36)(H,29,30,31)/t15-,18+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163479
(US9062048, 104)Show SMILES CCC(NC(=O)OC)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.14,8.7,(-8.95,-3.4,;-7.61,-2.63,;-7.61,-1.09,;-8.95,-.32,;-8.95,1.22,;-7.61,1.99,;-10.28,1.99,;-10.28,3.53,;-6.28,-.32,;-6.28,1.22,;-4.94,1.99,;-3.61,1.22,;-3.61,-.32,;-4.94,-1.09,;-2.28,1.99,;-.79,1.59,;-.39,3.08,;-1.88,3.48,;.94,3.85,;2.28,3.08,;3.61,3.85,;2.28,1.54,;3.61,.77,;3.61,-.77,;2.28,-1.54,;2.28,-3.08,;3.61,-3.85,;4.94,-3.08,;6.28,-3.85,;7.61,-3.08,;7.61,-1.54,;6.28,-.77,;4.94,-1.54,;8.95,-.77,;10.28,,;9.72,-2.1,;8.18,.56,)| Show InChI InChI=1S/C25H33F3N6O3/c1-3-20(33-24(36)37-2)15-4-7-18(8-5-15)34-12-17(13-34)32-22(35)11-29-23-19-10-16(25(26,27)28)6-9-21(19)30-14-31-23/h6,9-10,14-15,17-18,20H,3-5,7-8,11-13H2,1-2H3,(H,32,35)(H,33,36)(H,29,30,31)/t15-,18+,20? | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163376
(US9062048, 41)Show SMILES CC(=O)N[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:4.3,7.10,(-8.58,-3.78,;-8.98,-2.29,;-10.47,-1.89,;-7.89,-1.2,;-6.4,-1.6,;-5.32,-.51,;-3.83,-.91,;-3.43,-2.4,;-4.52,-3.49,;-6.01,-3.09,;-1.94,-2.8,;-1.17,-4.13,;.16,-3.36,;-.61,-2.03,;1.65,-3.76,;2.74,-2.67,;2.34,-1.18,;4.23,-3.07,;5.32,-1.98,;6.8,-2.38,;7.2,-3.86,;8.69,-4.26,;9.78,-3.17,;9.38,-1.69,;10.47,-.6,;10.07,.89,;8.58,1.29,;7.49,.2,;7.89,-1.29,;8.18,2.78,;9.27,3.86,;6.7,3.17,;7.78,4.26,)| Show InChI InChI=1S/C22H27F3N6O2/c1-13(32)29-15-3-5-17(6-4-15)31-10-16(11-31)30-20(33)9-26-21-18-8-14(22(23,24)25)2-7-19(18)27-12-28-21/h2,7-8,12,15-17H,3-6,9-11H2,1H3,(H,29,32)(H,30,33)(H,26,27,28)/t15-,17+ | KEGG
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| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163347
(US9062048, 32)Show SMILES CCCC(O)(CCC)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.14,8.7,(-11.05,-1.86,;-9.57,-2.26,;-8.48,-1.17,;-7.14,-1.94,;-7.14,-.4,;-7.54,-3.43,;-9.03,-3.82,;-9.43,-5.31,;-5.81,-1.17,;-4.48,-1.94,;-3.14,-1.17,;-3.14,.37,;-4.48,1.14,;-5.81,.37,;-1.81,1.14,;-.32,.74,;.08,2.23,;-1.41,2.63,;1.41,3,;2.74,2.23,;2.74,.69,;4.08,3,;5.41,2.23,;6.74,3,;6.74,4.54,;8.08,5.31,;9.41,4.54,;9.41,3,;10.75,2.23,;10.75,.69,;9.41,-.08,;8.08,.69,;8.08,2.23,;9.41,-1.62,;9.41,-3.16,;7.87,-1.62,;10.95,-1.62,)| Show InChI InChI=1S/C27H38F3N5O2/c1-3-11-26(37,12-4-2)18-5-8-21(9-6-18)35-15-20(16-35)34-24(36)14-31-25-22-13-19(27(28,29)30)7-10-23(22)32-17-33-25/h7,10,13,17-18,20-21,37H,3-6,8-9,11-12,14-16H2,1-2H3,(H,34,36)(H,31,32,33)/t18-,21+ | KEGG
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| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163313
(US9062048, 23)Show SMILES CN(C)CC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.5,9.12,(-11.11,-2.08,;-9.78,-2.85,;-9.78,-4.39,;-8.45,-2.08,;-7.11,-2.85,;-7.11,-4.39,;-5.78,-2.08,;-5.78,-.54,;-4.45,.23,;-3.11,-.54,;-3.11,-2.08,;-4.45,-2.85,;-1.78,.23,;-.29,-.17,;.11,1.31,;-1.38,1.71,;1.44,2.08,;2.77,1.31,;2.77,-.23,;4.11,2.08,;5.44,1.31,;6.78,2.08,;6.78,3.62,;8.11,4.39,;9.44,3.62,;9.44,2.08,;10.78,1.31,;10.78,-.23,;9.44,-1,;8.11,-.23,;8.11,1.31,;9.44,-2.54,;9.44,-4.08,;7.9,-2.54,;10.98,-2.54,)| Show InChI InChI=1S/C24H33F3N6O2/c1-32(2)13-21(34)15-3-6-18(7-4-15)33-11-17(12-33)31-22(35)10-28-23-19-9-16(24(25,26)27)5-8-20(19)29-14-30-23/h5,8-9,14-15,17-18,21,34H,3-4,6-7,10-13H2,1-2H3,(H,31,35)(H,28,29,30)/t15-,18+,21? | KEGG
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| n/a | n/a | 714 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163401
(US9062048, 54)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@H](CN4CCCCC4=O)CC3)c2c1 |r,wU:21.21,24.25,(10.28,-.61,;8.95,.16,;8.95,1.7,;10.28,.93,;7.61,-.61,;7.61,-2.15,;6.28,-2.92,;4.94,-2.15,;3.61,-2.92,;2.28,-2.15,;2.28,-.61,;3.61,.16,;3.61,1.7,;2.28,2.47,;2.28,4.01,;3.61,4.78,;.94,4.78,;-.39,4.01,;-1.88,4.41,;-2.28,2.92,;-.79,2.52,;-3.61,2.15,;-4.94,2.92,;-6.28,2.15,;-6.28,.61,;-7.61,-.16,;-7.61,-1.7,;-6.28,-2.47,;-6.28,-4.01,;-7.61,-4.78,;-8.95,-4.01,;-8.95,-2.47,;-10.28,-1.7,;-4.94,-.16,;-3.61,.61,;4.94,-.61,;6.28,.16,)| Show InChI InChI=1S/C26H33F3N6O2/c27-26(28,29)18-6-9-22-21(11-18)25(32-16-31-22)30-12-23(36)33-19-14-35(15-19)20-7-4-17(5-8-20)13-34-10-2-1-3-24(34)37/h6,9,11,16-17,19-20H,1-5,7-8,10,12-15H2,(H,33,36)(H,30,31,32)/t17-,20+ | KEGG
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| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163469
(US9062048, 98)Show SMILES CC(C)(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:9.12,6.5,(-9.61,-3.4,;-8.28,-2.63,;-6.94,-3.4,;-6.94,-1.86,;-8.28,-1.09,;-9.61,-.32,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-2.55,3.48,;-1.06,3.08,;-1.46,1.59,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,,;9.05,-2.1,;7.51,.56,)| Show InChI InChI=1S/C25H34F3N5O2/c1-24(2,3)22(35)15-4-7-18(8-5-15)33-12-17(13-33)32-21(34)11-29-23-19-10-16(25(26,27)28)6-9-20(19)30-14-31-23/h6,9-10,14-15,17-18,22,35H,4-5,7-8,11-13H2,1-3H3,(H,32,34)(H,29,30,31)/t15-,18+,22? | KEGG
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| n/a | n/a | 753 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163393
(US9062048, 50)Show SMILES CCN([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(C)=O |r,wU:3.2,6.9,(7.63,2.67,;8.4,1.33,;7.63,,;6.09,,;5.32,-1.33,;3.78,-1.33,;3.01,,;3.78,1.33,;5.32,1.33,;1.47,,;.38,1.09,;-.7,,;.38,-1.09,;-2.24,,;-3.01,1.33,;-2.24,2.67,;-4.55,1.33,;-5.32,2.67,;-6.86,2.67,;-7.63,4,;-9.17,4,;-9.94,2.67,;-9.17,1.33,;-9.94,,;-9.17,-1.33,;-7.63,-1.33,;-6.86,,;-7.63,1.33,;-6.86,-2.67,;-8.2,-3.44,;-5.53,-1.9,;-6.09,-4,;8.4,-1.33,;9.94,-1.33,;7.63,-2.67,)| Show InChI InChI=1S/C24H31F3N6O2/c1-3-33(15(2)34)19-7-5-18(6-8-19)32-12-17(13-32)31-22(35)11-28-23-20-10-16(24(25,26)27)4-9-21(20)29-14-30-23/h4,9-10,14,17-19H,3,5-8,11-13H2,1-2H3,(H,31,35)(H,28,29,30)/t18-,19+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163383
(US9062048, 46)Show SMILES CCCC(=O)N(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.6,10.13,(-4.28,-3.4,;-5.61,-2.63,;-6.94,-3.4,;-8.28,-2.63,;-9.61,-3.4,;-8.28,-1.09,;-9.61,-.32,;-6.94,-.32,;-6.94,1.22,;-5.61,1.99,;-4.28,1.22,;-4.28,-.32,;-5.61,-1.09,;-2.94,1.99,;-1.46,1.59,;-1.06,3.08,;-2.55,3.48,;.28,3.85,;1.61,3.08,;2.94,3.85,;1.61,1.54,;2.94,.77,;2.94,-.77,;1.61,-1.54,;1.61,-3.08,;2.94,-3.85,;4.28,-3.08,;5.61,-3.85,;6.94,-3.08,;6.94,-1.54,;5.61,-.77,;4.28,-1.54,;8.28,-.77,;9.61,-1.54,;8.28,.77,;9.61,,)| Show InChI InChI=1S/C25H33F3N6O2/c1-3-4-23(36)33(2)18-6-8-19(9-7-18)34-13-17(14-34)32-22(35)12-29-24-20-11-16(25(26,27)28)5-10-21(20)30-15-31-24/h5,10-11,15,17-19H,3-4,6-9,12-14H2,1-2H3,(H,32,35)(H,29,30,31)/t18-,19+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163437
(US9062048, 64)Show SMILES CN(CC(=O)NC1CN(C1)C1CC[C@](O)(CC1)c1nccs1)c1ncnc2ccc(cc12)C(F)(F)F |r,wD:13.14,(4.58,3.33,;5.35,2,;4.58,.67,;3.04,.67,;2.27,-.67,;2.27,2,;.73,2,;-.36,3.09,;-1.44,2,;-.36,.91,;-2.98,2,;-3.75,.67,;-5.29,.67,;-6.06,2,;-6.83,3.33,;-5.29,3.33,;-3.75,3.33,;-7.6,2,;-8.51,3.25,;-9.97,2.77,;-9.97,1.23,;-8.51,.75,;6.89,2,;7.66,3.33,;9.2,3.33,;9.97,2,;9.2,.67,;9.97,-.67,;9.2,-2,;7.66,-2,;6.89,-.67,;7.66,.67,;6.89,-3.33,;6.12,-4.67,;5.35,-3.33,;7.66,-4.67,)| Show InChI InChI=1S/C24H27F3N6O2S/c1-32(21-18-10-15(24(25,26)27)2-3-19(18)29-14-30-21)13-20(34)31-16-11-33(12-16)17-4-6-23(35,7-5-17)22-28-8-9-36-22/h2-3,8-10,14,16-17,35H,4-7,11-13H2,1H3,(H,31,34)/t17?,23- | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163473
(US9062048, 102)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCCC3)c2c1 |r,wU:21.21,24.28,(10.28,,;8.95,-.77,;9.72,-2.1,;8.18,.56,;7.61,-1.54,;7.61,-3.08,;6.28,-3.85,;4.94,-3.08,;3.61,-3.85,;2.28,-3.08,;2.28,-1.54,;3.61,-.77,;3.61,.77,;2.28,1.54,;2.28,3.08,;3.61,3.85,;.94,3.85,;-.39,3.08,;-.79,1.59,;-2.28,1.99,;-1.88,3.48,;-3.61,1.22,;-4.94,1.99,;-6.28,1.22,;-6.28,-.32,;-4.94,-1.09,;-3.61,-.32,;-7.61,-1.09,;-8.95,-.32,;-10.28,-1.09,;-10.28,-2.63,;-8.95,-3.4,;-7.61,-2.63,;4.94,-1.54,;6.28,-.77,)| Show InChI InChI=1S/C26H34F3N5O/c27-26(28,29)19-8-11-23-22(12-19)25(32-16-31-23)30-13-24(35)33-20-14-34(15-20)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h8,11-12,16-18,20-21H,1-7,9-10,13-15H2,(H,33,35)(H,30,31,32)/t18-,21+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163392
(US9062048, 49)Show SMILES CN([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)S(C)(=O)=O |r,wU:5.8,2.1,(-9.51,-.16,;-8.18,-.93,;-6.84,-.16,;-6.84,1.38,;-5.51,2.15,;-4.17,1.38,;-4.17,-.16,;-5.51,-.93,;-2.84,2.15,;-2.44,3.64,;-.95,3.24,;-1.35,1.75,;.38,4.01,;1.71,3.24,;3.05,4.01,;1.71,1.7,;3.05,.93,;3.05,-.61,;1.71,-1.38,;1.71,-2.92,;3.05,-3.69,;4.38,-2.92,;5.71,-3.69,;7.05,-2.92,;7.05,-1.38,;5.71,-.61,;4.38,-1.38,;8.38,-.61,;9.72,-1.38,;8.38,.93,;9.72,.16,;-8.18,-2.47,;-6.64,-2.47,;-9.72,-2.47,;-8.18,-4.01,)| Show InChI InChI=1S/C22H29F3N6O3S/c1-30(35(2,33)34)16-4-6-17(7-5-16)31-11-15(12-31)29-20(32)10-26-21-18-9-14(22(23,24)25)3-8-19(18)27-13-28-21/h3,8-9,13,15-17H,4-7,10-12H2,1-2H3,(H,29,32)(H,26,27,28)/t16-,17+ | KEGG
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| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163503
(US9062048, 130)Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)C(=O)N3CCCC3)c2c1 |r,wU:24.28,(10.71,-0,;9.38,-.77,;10.15,-2.1,;8.61,.56,;8.05,-1.54,;8.05,-3.08,;6.71,-3.85,;5.38,-3.08,;4.05,-3.85,;2.71,-3.08,;2.71,-1.54,;4.05,-.77,;4.05,.77,;2.71,1.54,;2.71,3.08,;4.05,3.85,;1.38,3.85,;.04,3.08,;-1.44,3.48,;-1.84,1.99,;-.35,1.59,;-3.18,1.22,;-4.51,1.99,;-5.84,1.22,;-5.84,-.32,;-4.51,-1.09,;-3.18,-.32,;-7.18,-1.09,;-7.18,-2.63,;-8.51,-.32,;-8.51,1.22,;-9.97,1.7,;-10.88,.45,;-9.97,-.79,;5.38,-1.54,;6.71,-.77,)| Show InChI InChI=1S/C25H31F3N6O2/c26-25(27,28)17-5-8-21-20(11-17)23(31-15-30-21)29-12-22(35)32-18-13-34(14-18)19-6-3-16(4-7-19)24(36)33-9-1-2-10-33/h5,8,11,15-16,18-19H,1-4,6-7,9-10,12-14H2,(H,32,35)(H,29,30,31)/t16-,19? | KEGG
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163578
(US9062048, 161 | US9062048, 162)Show SMILES OC1(CCN(CC1)[C@@H]1C[C@@H](C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:7.7,9.12,(6.29,2.4,;5.52,3.73,;4.75,2.4,;3.21,2.4,;2.44,3.73,;3.21,5.07,;4.75,5.07,;.9,3.73,;-.19,4.82,;-1.28,3.73,;-.19,2.65,;-2.82,3.73,;-3.91,2.65,;-3.51,1.16,;-5.39,3.04,;-6.48,1.96,;-7.97,2.35,;-9.06,1.27,;-10.55,1.66,;-10.94,3.15,;-9.86,4.24,;-10.25,5.73,;-9.17,6.82,;-7.68,6.42,;-7.28,4.93,;-8.37,3.84,;-6.59,7.51,;-5.5,8.6,;-5.5,6.42,;-7.68,8.6,;7.06,3.73,;7.97,2.49,;9.43,2.97,;9.43,4.5,;7.97,4.98,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(7-14)21(30-12-29-18)28-11-20(33)31-15-8-16(9-15)32-5-3-22(34,4-6-32)19-10-27-13-35-19/h1-2,7,10,12-13,15-16,34H,3-6,8-9,11H2,(H,31,33)(H,28,29,30)/t15-,16+ | KEGG
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UniChem
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| US Patent
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163531
(US9062048, 142)Show SMILES CCC(NC(=O)NC)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:11.14,8.7,(-10.4,1.31,;-9.06,.54,;-7.73,1.31,;-7.73,2.85,;-9.06,3.62,;-10.4,2.85,;-9.06,5.16,;-10.4,5.93,;-6.4,.54,;-5.06,1.31,;-3.73,.54,;-3.73,-1,;-5.06,-1.77,;-6.4,-1,;-2.4,-1.77,;-.91,-1.37,;-.51,-2.85,;-2,-3.25,;.82,-3.62,;2.16,-2.85,;2.16,-1.31,;3.49,-3.62,;4.83,-2.85,;6.16,-3.62,;6.16,-5.16,;7.49,-5.93,;8.83,-5.16,;8.83,-3.62,;10.16,-2.85,;10.16,-1.31,;8.83,-.54,;7.49,-1.31,;7.49,-2.85,;8.83,1,;8.83,2.54,;10.37,1,;7.29,1,)| Show InChI InChI=1S/C25H34F3N7O2/c1-3-20(34-24(37)29-2)15-4-7-18(8-5-15)35-12-17(13-35)33-22(36)11-30-23-19-10-16(25(26,27)28)6-9-21(19)31-14-32-23/h6,9-10,14-15,17-18,20H,3-5,7-8,11-13H2,1-2H3,(H,33,36)(H2,29,34,37)(H,30,31,32)/t15-,18+,20? | KEGG
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UniChem
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| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163521
(US9062048, 139)Show SMILES CCC(NS(C)(=O)=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.7,11.14,(-10.37,1.7,;-9.03,.93,;-7.7,1.7,;-7.7,3.24,;-9.03,4.01,;-9.03,5.55,;-10.37,3.24,;-10.4,4.77,;-6.36,.93,;-5.03,1.7,;-3.7,.93,;-3.7,-.61,;-5.03,-1.38,;-6.36,-.61,;-2.36,-1.38,;-1.96,-2.87,;-.48,-2.47,;-.88,-.98,;.86,-3.24,;2.19,-2.47,;2.19,-.93,;3.52,-3.24,;4.86,-2.47,;6.19,-3.24,;6.19,-4.78,;7.53,-5.55,;8.86,-4.78,;8.86,-3.24,;10.19,-2.47,;10.19,-.93,;8.86,-.16,;7.53,-.93,;7.53,-2.47,;8.86,1.38,;8.86,2.92,;10.4,1.38,;7.32,1.38,)| Show InChI InChI=1S/C24H33F3N6O3S/c1-3-20(32-37(2,35)36)15-4-7-18(8-5-15)33-12-17(13-33)31-22(34)11-28-23-19-10-16(24(25,26)27)6-9-21(19)29-14-30-23/h6,9-10,14-15,17-18,20,32H,3-5,7-8,11-13H2,1-2H3,(H,31,34)(H,28,29,30)/t15-,18+,20? | KEGG
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UniChem
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| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163518
(US9062048, 138)Show SMILES CCC(NC(C)=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:7.6,10.13,(-10.38,1.7,;-9.05,.93,;-7.71,1.7,;-7.71,3.24,;-9.05,4.01,;-9.05,5.55,;-10.38,3.24,;-6.38,.93,;-5.05,1.7,;-3.71,.93,;-3.71,-.61,;-5.05,-1.38,;-6.38,-.61,;-2.38,-1.38,;-1.98,-2.87,;-.49,-2.47,;-.89,-.98,;.84,-3.24,;2.17,-2.47,;2.17,-.93,;3.51,-3.24,;4.84,-2.47,;6.17,-3.24,;6.17,-4.78,;7.51,-5.55,;8.84,-4.78,;8.84,-3.24,;10.18,-2.47,;10.18,-.93,;8.84,-.16,;7.51,-.93,;7.51,-2.47,;8.84,1.38,;8.84,2.92,;10.38,1.38,;7.3,1.38,)| Show InChI InChI=1S/C25H33F3N6O2/c1-3-21(32-15(2)35)16-4-7-19(8-5-16)34-12-18(13-34)33-23(36)11-29-24-20-10-17(25(26,27)28)6-9-22(20)30-14-31-24/h6,9-10,14,16,18-19,21H,3-5,7-8,11-13H2,1-2H3,(H,32,35)(H,33,36)(H,29,30,31)/t16-,19+,21? | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163568
(US9062048, 157 | US9062048, 158)Show SMILES CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1cnnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-10.64,4.09,;-9.1,4.09,;-8.33,2.75,;-8.33,5.42,;-9.1,6.75,;-6.79,5.42,;-6.02,6.75,;-4.48,6.75,;-3.71,5.42,;-4.48,4.09,;-6.02,4.09,;-2.17,5.42,;-1.09,6.51,;0,5.42,;-1.09,4.33,;1.54,5.42,;2.31,6.75,;1.54,8.09,;3.85,6.75,;4.62,5.42,;6.16,5.42,;6.93,4.09,;8.47,4.09,;9.24,5.42,;8.47,6.75,;9.24,8.09,;8.47,9.42,;6.93,9.42,;6.16,8.09,;6.93,6.75,;6.16,10.75,;5.39,12.09,;4.68,10.36,;6.93,12.09,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)23(34)15-3-6-18(7-4-15)32-12-17(13-32)30-22(33)11-28-21-10-29-31-20-8-5-16(9-19(20)21)24(25,26)27/h5,8-10,14-15,17-18,23,34H,3-4,6-7,11-13H2,1-2H3,(H,28,31)(H,30,33)/t15-,18+,23? | KEGG
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163581
(US9062048, 163 | US9062048, 164)Show SMILES OC1(CCN(CC1)[C@H]1C[C@@H](C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)[N+]#[C-])c1cncs1 |r,wU:7.7,wD:9.12,(8.2,-5.65,;6.86,-6.42,;6.09,-7.76,;4.55,-7.76,;3.78,-6.42,;4.55,-5.09,;6.09,-5.09,;2.24,-6.42,;1.15,-7.51,;.07,-6.42,;1.15,-5.33,;-1.47,-6.42,;-2.24,-5.09,;-1.47,-3.76,;-3.78,-5.09,;-4.55,-3.76,;-6.09,-3.76,;-6.86,-2.42,;-8.43,-2.37,;-9.18,-3.76,;-8.41,-5.09,;-9.18,-6.42,;-8.41,-7.76,;-6.87,-7.76,;-6.1,-6.42,;-6.87,-5.09,;-6.1,-9.09,;-5.33,-10.42,;-7.43,-9.86,;-4.76,-8.32,;-9.2,-1.04,;-9.97,.29,;8.2,-7.19,;9.66,-6.72,;10.57,-7.96,;9.66,-9.21,;8.2,-8.73,)| Show InChI InChI=1S/C25H25F3N6O2S/c1-29-22-11-20(18-8-15(25(26,27)28)2-3-19(18)33-22)31-13-23(35)32-16-9-17(10-16)34-6-4-24(36,5-7-34)21-12-30-14-37-21/h2-3,8,11-12,14,16-17,36H,4-7,9-10,13H2,(H,31,33)(H,32,35)/t16-,17- | KEGG
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163510
(US9062048, 135)Show SMILES CCC(NC(=O)C(F)(F)F)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wD:10.9,13.16,(2.09,9.12,;2.09,7.58,;.76,6.81,;-.58,7.58,;-.58,9.12,;.76,9.89,;-1.91,9.89,;-3.24,10.66,;-1.14,11.23,;-2.68,8.56,;.76,5.27,;-.58,4.5,;-.58,2.96,;.76,2.19,;2.09,2.96,;2.09,4.5,;.76,.65,;1.85,-.44,;.76,-1.52,;-.33,-.44,;.76,-3.06,;-.58,-3.83,;-1.91,-3.06,;-.58,-5.37,;-1.91,-6.14,;-1.91,-7.68,;-3.24,-8.45,;-3.24,-9.99,;-1.91,-10.76,;-.58,-9.99,;.76,-10.76,;2.09,-9.99,;2.09,-8.45,;.76,-7.68,;-.58,-8.45,;3.42,-7.68,;4.76,-6.91,;2.65,-6.35,;4.19,-9.02,)| Show InChI InChI=1S/C25H30F6N6O2/c1-2-19(36-23(39)25(29,30)31)14-3-6-17(7-4-14)37-11-16(12-37)35-21(38)10-32-22-18-9-15(24(26,27)28)5-8-20(18)33-13-34-22/h5,8-9,13-14,16-17,19H,2-4,6-7,10-12H2,1H3,(H,35,38)(H,36,39)(H,32,33,34)/t14-,17+,19? | KEGG
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163524
(US9062048, 140)Show SMILES CCC(NS(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wD:11.10,14.17,(-9.17,-2.98,;-7.83,-2.21,;-6.5,-2.98,;-6.5,-4.52,;-7.83,-5.29,;-7.06,-6.62,;-8.6,-3.96,;-9.17,-6.06,;-10.5,-6.83,;-8.4,-7.39,;-9.94,-4.73,;-5.17,-2.21,;-3.83,-2.98,;-2.5,-2.21,;-2.5,-.67,;-3.83,.1,;-5.17,-.67,;-1.17,.1,;-.77,1.59,;.72,1.19,;.32,-.3,;2.05,1.96,;2.05,3.5,;.72,4.27,;3.39,4.27,;4.72,3.5,;4.72,1.96,;3.39,1.19,;3.39,-.35,;4.72,-1.12,;6.05,-.35,;7.39,-1.12,;8.72,-.35,;8.72,1.19,;7.39,1.96,;6.05,1.19,;10.06,1.96,;11.39,2.73,;10.83,.63,;9.29,3.29,)| Show InChI InChI=1S/C24H30F6N6O3S/c1-2-19(35-40(38,39)24(28,29)30)14-3-6-17(7-4-14)36-11-16(12-36)34-21(37)10-31-22-18-9-15(23(25,26)27)5-8-20(18)32-13-33-22/h5,8-9,13-14,16-17,19,35H,2-4,6-7,10-12H2,1H3,(H,34,37)(H,31,32,33)/t14-,17+,19? | KEGG
UniProtKB/SwissProt
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| PC cid
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| US Patent
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163514
(US9062048, 137)Show SMILES CCC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)N(C)C |r,wU:3.2,6.9,(-10.38,2.47,;-9.05,1.7,;-7.71,2.47,;-6.38,1.7,;-5.05,2.47,;-3.71,1.7,;-3.71,.16,;-5.05,-.61,;-6.38,.16,;-2.38,-.61,;-1.98,-2.1,;-.49,-1.7,;-.89,-.21,;.84,-2.47,;2.17,-1.7,;2.17,-.16,;3.51,-2.47,;4.84,-1.7,;6.17,-2.47,;6.17,-4.01,;7.51,-4.78,;8.84,-4.01,;8.84,-2.47,;10.18,-1.7,;10.18,-.16,;8.84,.61,;7.51,-.16,;7.51,-1.7,;8.84,2.15,;8.84,3.69,;10.38,2.15,;7.3,2.15,;-7.71,4.01,;-9.05,4.78,;-6.38,4.78,)| Show InChI InChI=1S/C25H35F3N6O/c1-4-22(33(2)3)16-5-8-19(9-6-16)34-13-18(14-34)32-23(35)12-29-24-20-11-17(25(26,27)28)7-10-21(20)30-15-31-24/h7,10-11,15-16,18-19,22H,4-6,8-9,12-14H2,1-3H3,(H,32,35)(H,29,30,31)/t16-,19+,22? | KEGG
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163566
(BDBM163611 | US9062048, 153 | US9062048, 154)Show SMILES CCC(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nncc2ccc(cc12)C(F)(F)F |r,wU:7.10,wD:4.3,(-9.81,-5.59,;-8.47,-6.36,;-7.14,-5.59,;-7.14,-4.05,;-5.81,-6.36,;-5.81,-7.9,;-4.47,-8.67,;-3.14,-7.9,;-3.14,-6.36,;-4.47,-5.59,;-1.81,-8.67,;-.32,-8.27,;.08,-9.76,;-1.41,-10.16,;1.41,-10.53,;2.75,-9.76,;2.75,-8.22,;4.08,-10.53,;5.41,-9.76,;6.75,-10.53,;6.75,-12.07,;8.08,-12.84,;9.41,-12.07,;9.41,-10.53,;10.75,-9.76,;10.75,-8.22,;9.41,-7.45,;8.08,-8.22,;8.08,-9.76,;9.41,-5.91,;9.41,-4.37,;10.95,-5.91,;7.87,-5.91,)| Show InChI InChI=1S/C23H30F3N5O2/c1-2-20(32)14-4-7-18(8-5-14)31-12-17(13-31)29-21(33)11-27-22-19-9-16(23(24,25)26)6-3-15(19)10-28-30-22/h3,6,9-10,14,17-18,20,32H,2,4-5,7-8,11-13H2,1H3,(H,27,30)(H,29,33)/t14-,18-,20? | KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163569
(US9062048, 159 | US9062048, 160)Show SMILES CC(C)C(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nncc2ccc(cc12)C(F)(F)F |r,wU:5.4,wD:8.11,(-9.81,-5.59,;-8.47,-6.36,;-8.47,-7.99,;-7.14,-5.59,;-7.14,-4.05,;-5.81,-6.36,;-4.47,-5.59,;-3.14,-6.36,;-3.14,-7.9,;-4.47,-8.67,;-5.81,-7.9,;-1.81,-8.67,;-.32,-8.27,;.08,-9.76,;-1.41,-10.16,;1.41,-10.53,;2.75,-9.76,;2.75,-8.22,;4.08,-10.53,;5.41,-9.76,;6.75,-10.53,;6.75,-12.07,;8.08,-12.84,;9.41,-12.07,;9.41,-10.53,;10.75,-9.76,;10.75,-8.22,;9.41,-7.45,;8.08,-8.22,;8.08,-9.76,;9.41,-5.91,;9.41,-4.37,;10.95,-5.91,;7.87,-5.91,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-4-7-19(8-5-15)32-12-18(13-32)30-21(33)11-28-23-20-9-17(24(25,26)27)6-3-16(20)10-29-31-23/h3,6,9-10,14-15,18-19,22,34H,4-5,7-8,11-13H2,1-2H3,(H,28,31)(H,30,33)/t15-,19-,22? | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163534
(US9062048, 143)Show SMILES CCC(NC(=O)N(C)C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:12.15,9.8,(-10.4,1.31,;-9.06,.54,;-7.73,1.31,;-7.73,2.85,;-9.06,3.62,;-10.4,2.85,;-9.06,5.16,;-10.4,5.93,;-7.73,5.93,;-6.4,.54,;-5.06,1.31,;-3.73,.54,;-3.73,-1,;-5.06,-1.77,;-6.4,-1,;-2.4,-1.77,;-.91,-1.37,;-.51,-2.85,;-2,-3.25,;.82,-3.62,;2.16,-2.85,;2.16,-1.31,;3.49,-3.62,;4.83,-2.85,;6.16,-3.62,;6.16,-5.16,;7.49,-5.93,;8.83,-5.16,;8.83,-3.62,;10.16,-2.85,;10.16,-1.31,;8.83,-.54,;7.49,-1.31,;7.49,-2.85,;8.83,1,;8.83,2.54,;10.37,1,;7.29,1,)| Show InChI InChI=1S/C26H36F3N7O2/c1-4-21(34-25(38)35(2)3)16-5-8-19(9-6-16)36-13-18(14-36)33-23(37)12-30-24-20-11-17(26(27,28)29)7-10-22(20)31-15-32-24/h7,10-11,15-16,18-19,21H,4-6,8-9,12-14H2,1-3H3,(H,33,37)(H,34,38)(H,30,31,32)/t16-,19+,21? | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163610
(US9062048, 151)Show SMILES CCC(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F |r,wU:4.3,wD:7.10,(-9.69,-9.59,;-8.15,-9.59,;-7.38,-8.26,;-8.15,-6.92,;-5.84,-8.26,;-5.07,-6.92,;-3.53,-6.92,;-2.76,-8.26,;-3.53,-9.59,;-5.07,-9.59,;-1.22,-8.26,;-.13,-7.17,;.96,-8.26,;-.13,-9.35,;2.5,-8.26,;3.27,-6.92,;2.5,-5.59,;4.81,-6.92,;5.58,-8.26,;7.12,-8.26,;7.89,-9.59,;9.43,-9.59,;10.2,-8.26,;9.43,-6.92,;10.2,-5.59,;9.43,-4.26,;7.89,-4.26,;7.12,-5.59,;7.89,-6.92,;7.12,-2.92,;6.35,-1.59,;5.63,-3.32,;7.89,-1.59,)| Show InChI InChI=1S/C23H30F3N5O2/c1-2-20(32)14-3-5-17(6-4-14)31-12-16(13-31)30-21(33)11-29-22-18-9-15(23(24,25)26)10-28-19(18)7-8-27-22/h7-10,14,16-17,20,32H,2-6,11-13H2,1H3,(H,27,29)(H,30,33)/t14-,17-,20? | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163587
(US9062048, 165 | US9062048, 166)Show SMILES O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wD:1.0,4.7,(-7.84,-8.04,;-6.5,-7.27,;-6.5,-5.73,;-5.17,-4.96,;-3.84,-5.73,;-3.84,-7.27,;-5.17,-8.04,;-2.5,-4.96,;-1.02,-5.36,;-.62,-3.87,;-2.1,-3.47,;.72,-3.1,;2.05,-3.87,;2.05,-5.41,;3.38,-3.1,;4.72,-3.87,;6.05,-3.1,;6.05,-1.56,;7.39,-.79,;8.72,-1.56,;8.72,-3.1,;10.05,-3.87,;10.05,-5.41,;8.72,-6.18,;7.39,-5.41,;7.39,-3.87,;8.72,-7.72,;8.72,-9.26,;7.18,-7.72,;10.26,-7.72,;-7.84,-6.5,;-8.74,-7.75,;-10.21,-7.27,;-10.21,-5.73,;-8.74,-5.26,)| Show InChI InChI=1S/C24H26F3N5O2S/c25-24(26,27)16-2-1-15-5-8-29-22(19(15)9-16)30-11-21(33)31-17-12-32(13-17)18-3-6-23(34,7-4-18)20-10-28-14-35-20/h1-2,5,8-10,14,17-18,34H,3-4,6-7,11-13H2,(H,29,30)(H,31,33)/t18-,23+ | KEGG
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| PC cid
PC sid
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| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163561
(US9062048, 148 | US9062048, 149)Show SMILES O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nncc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wD:4.7,1.0,(-7.49,-5.39,;-6.16,-6.16,;-5.39,-4.83,;-3.85,-4.83,;-3.08,-6.16,;-3.85,-7.5,;-5.39,-7.5,;-1.54,-6.16,;-.45,-5.07,;.64,-6.16,;-.45,-7.25,;2.18,-6.16,;2.95,-4.83,;2.18,-3.49,;4.49,-4.83,;5.26,-6.16,;4.49,-7.5,;2.95,-7.5,;2.18,-8.83,;2.95,-10.16,;4.49,-10.16,;5.26,-11.5,;6.8,-11.5,;7.57,-10.16,;6.8,-8.83,;5.26,-8.83,;9.11,-10.16,;10.65,-10.16,;9.11,-11.7,;9.11,-8.62,;-7.49,-6.93,;-7.49,-8.47,;-8.96,-8.95,;-9.86,-7.7,;-8.96,-6.46,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)15-2-1-14-8-29-31-21(18(14)7-15)28-10-20(33)30-16-11-32(12-16)17-3-5-22(34,6-4-17)19-9-27-13-35-19/h1-2,7-9,13,16-17,34H,3-6,10-12H2,(H,28,31)(H,30,33)/t17-,22+ | KEGG
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| PC cid
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163567
(US9062048, 155)Show SMILES CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-10.09,5.42,;-8.75,6.19,;-7.42,5.42,;-8.75,7.73,;-10.09,8.5,;-7.42,8.5,;-6.65,9.83,;-5.11,9.83,;-4.34,8.5,;-5.11,7.17,;-6.65,7.17,;-2.8,8.5,;-1.71,9.59,;-.62,8.5,;-1.71,7.41,;.92,8.5,;1.69,9.83,;.92,11.17,;3.23,9.83,;4,8.5,;5.54,8.5,;6.31,7.17,;7.85,7.17,;8.62,8.5,;7.85,9.83,;8.62,11.17,;7.85,12.5,;6.31,12.5,;5.54,11.17,;6.31,9.83,;5.54,13.83,;4.77,15.17,;4.21,13.06,;6.87,14.6,)| Show InChI InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-5-18(6-4-15)32-12-17(13-32)31-21(33)11-30-23-19-9-16(24(25,26)27)10-29-20(19)7-8-28-23/h7-10,14-15,17-18,22,34H,3-6,11-13H2,1-2H3,(H,28,30)(H,31,33)/t15-,18+,22? | KEGG
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| PC cid
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| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163581
(US9062048, 163 | US9062048, 164)Show SMILES OC1(CCN(CC1)[C@H]1C[C@@H](C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)[N+]#[C-])c1cncs1 |r,wU:7.7,wD:9.12,(8.2,-5.65,;6.86,-6.42,;6.09,-7.76,;4.55,-7.76,;3.78,-6.42,;4.55,-5.09,;6.09,-5.09,;2.24,-6.42,;1.15,-7.51,;.07,-6.42,;1.15,-5.33,;-1.47,-6.42,;-2.24,-5.09,;-1.47,-3.76,;-3.78,-5.09,;-4.55,-3.76,;-6.09,-3.76,;-6.86,-2.42,;-8.43,-2.37,;-9.18,-3.76,;-8.41,-5.09,;-9.18,-6.42,;-8.41,-7.76,;-6.87,-7.76,;-6.1,-6.42,;-6.87,-5.09,;-6.1,-9.09,;-5.33,-10.42,;-7.43,-9.86,;-4.76,-8.32,;-9.2,-1.04,;-9.97,.29,;8.2,-7.19,;9.66,-6.72,;10.57,-7.96,;9.66,-9.21,;8.2,-8.73,)| Show InChI InChI=1S/C25H25F3N6O2S/c1-29-22-11-20(18-8-15(25(26,27)28)2-3-19(18)33-22)31-13-23(35)32-16-9-17(10-16)34-6-4-24(36,5-7-34)21-12-30-14-37-21/h2-3,8,11-12,14,16-17,36H,4-7,9-10,13H2,(H,31,33)(H,32,35)/t16-,17- | KEGG
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| PC cid
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| US Patent
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163578
(US9062048, 161 | US9062048, 162)Show SMILES OC1(CCN(CC1)[C@@H]1C[C@@H](C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1 |r,wU:7.7,9.12,(6.29,2.4,;5.52,3.73,;4.75,2.4,;3.21,2.4,;2.44,3.73,;3.21,5.07,;4.75,5.07,;.9,3.73,;-.19,4.82,;-1.28,3.73,;-.19,2.65,;-2.82,3.73,;-3.91,2.65,;-3.51,1.16,;-5.39,3.04,;-6.48,1.96,;-7.97,2.35,;-9.06,1.27,;-10.55,1.66,;-10.94,3.15,;-9.86,4.24,;-10.25,5.73,;-9.17,6.82,;-7.68,6.42,;-7.28,4.93,;-8.37,3.84,;-6.59,7.51,;-5.5,8.6,;-5.5,6.42,;-7.68,8.6,;7.06,3.73,;7.97,2.49,;9.43,2.97,;9.43,4.5,;7.97,4.98,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(7-14)21(30-12-29-18)28-11-20(33)31-15-8-16(9-15)32-5-3-22(34,4-6-32)19-10-27-13-35-19/h1-2,7,10,12-13,15-16,34H,3-6,8-9,11H2,(H,31,33)(H,28,29,30)/t15-,16+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163543
(US9062048, 145)Show SMILES O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F)c1cncs1 |r,wD:4.7,1.0,(-7.18,-5.66,;-5.85,-6.43,;-5.08,-5.1,;-3.54,-5.1,;-2.77,-6.43,;-3.54,-7.77,;-5.08,-7.77,;-1.23,-6.43,;-.14,-7.52,;.95,-6.43,;-.14,-5.34,;2.49,-6.43,;3.26,-5.1,;2.49,-3.77,;4.8,-5.1,;5.57,-6.43,;7.11,-6.43,;7.88,-7.77,;9.42,-7.77,;10.19,-6.43,;9.42,-5.1,;10.19,-3.77,;9.42,-2.43,;7.88,-2.43,;7.11,-3.77,;7.88,-5.1,;7.11,-1.1,;6.34,.23,;5.57,-1.1,;7.88,.23,;-7.18,-7.2,;-7.18,-8.74,;-8.65,-9.22,;-9.55,-7.97,;-8.65,-6.73,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-7-17-18(29-8-14)3-6-28-21(17)30-10-20(33)31-15-11-32(12-15)16-1-4-22(34,5-2-16)19-9-27-13-35-19/h3,6-9,13,15-16,34H,1-2,4-5,10-12H2,(H,28,30)(H,31,33)/t16-,22+ | KEGG
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor-like 2
(Homo sapiens (Human)) | BDBM163588
(US9062048, 167 | US9062048, 168)Show SMILES CCC(O)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F |r,wU:4.3,wD:7.10,(-9.57,-9.8,;-8.03,-9.8,;-7.26,-8.46,;-8.03,-7.13,;-5.72,-8.46,;-4.95,-7.13,;-3.41,-7.13,;-2.64,-8.46,;-3.41,-9.8,;-4.95,-9.8,;-1.1,-8.46,;-.01,-9.55,;1.08,-8.46,;-.01,-7.38,;2.62,-8.46,;3.39,-7.13,;2.62,-5.8,;4.93,-7.13,;5.7,-5.8,;7.24,-5.8,;8.01,-7.13,;9.55,-7.13,;10.32,-5.8,;9.55,-4.46,;10.32,-3.13,;9.55,-1.8,;8.01,-1.8,;7.24,-3.13,;8.01,-4.46,;7.24,-.46,;6.47,.87,;5.75,-.86,;8.01,.87,)| Show InChI InChI=1S/C24H31F3N4O2/c1-2-21(32)16-4-7-19(8-5-16)31-13-18(14-31)30-22(33)12-29-23-20-11-17(24(25,26)27)6-3-15(20)9-10-28-23/h3,6,9-11,16,18-19,21,32H,2,4-5,7-8,12-14H2,1H3,(H,28,29)(H,30,33)/t16-,19-,21? | KEGG
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| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16... |
US Patent US9062048 (2015)
BindingDB Entry DOI: 10.7270/Q2ZP44W1 |
More data for this
Ligand-Target Pair | |
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